3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium

C294H364N33O14S12+19 — CID 158406629

IUPAC3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium
SMILESCC(=O)SCCC[n+]1ccccc1/C=C/c1ccc(N(C)CCC[N+](C)(C)C)cc1.CC(=O)SCC[n+]1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1.CC(=O)SCC[n+]1ccc(/C=C/c2ccc3c(c2)OCCN3C)cc1.CN(C)c1ccc2cc(/C=C/c3cc[n+](CCSC(=O)c4ccccc4)cc3)ccc2c1.CN(CCC[N+](C)(C)C)c1ccc(/C=C/c2cc[n+](CCSC(=O)c3ccccc3)cc2)cc1.CN(CCC[N+](C)(C)C)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(C)CC[N+](C)(C)C)cc4)cc3)cc2)cc1.CN1CCCc2cc(/C=C/c3cc[n+](CCCSc4nccn4C)cc3)ccc21.CN1CCOc2cc(/C=C/c3cc[n+](CCSc4n(C)cc[n+]4C)cc3)ccc21.COc1cc(/C=C/c2cccc[n+]2CCCSc2cccc[n+]2C)cc(OC)c1OC.C[n+]1ccccc1SCC[n+]1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc1.O=C(OCc1ccccc1)SCCCC[n+]1ccc(/C=C/c2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C43H62N6S2.C29H37N3OS.C29H33N2O2S.C28H27N2OS.C27H31N3S.C25H37N3OS.C25H30N2O3S.C24H29N4S.C23H28N4OS.C21H27N2O3S.C20H23N2O2S/c1-44(26-9-34-48(3,4)5)42-18-14-38(15-19-42)10-12-40-22-27-46(28-23-40)32-36-50-51-37-33-47-29-24-41(25-30-47)13-11-39-16-20-43(21-17-39)45(2)31-35-49(6,7)8;1-30(19-8-23-32(2,3)4)28-15-13-25(14-16-28)11-12-26-17-20-31(21-18-26)22-24-34-29(33)27-9-6-5-7-10-27;32-29(33-24-27-8-2-1-3-9-27)34-23-7-6-18-30-21-16-26(17-22-30)11-10-25-12-14-28(15-13-25)31-19-4-5-20-31;1-29(2)27-13-12-25-20-23(10-11-26(25)21-27)9-8-22-14-16-30(17-15-22)18-19-32-28(31)24-6-4-3-5-7-24;1-28-13-3-2-8-26(28)31-19-18-29-16-11-22(12-17-29)9-10-23-20-24-6-4-14-30-15-5-7-25(21-23)27(24)30;1-22(29)30-21-9-19-27-18-7-6-10-25(27)16-13-23-11-14-24(15-12-23)26(2)17-8-20-28(3,4)5;1-26-14-7-6-11-24(26)31-17-9-16-27-15-8-5-10-21(27)13-12-20-18-22(28-2)25(30-4)23(19-20)29-3;1-26-13-3-5-22-19-21(8-9-23(22)26)7-6-20-10-15-28(16-11-20)14-4-18-29-24-25-12-17-27(24)2;1-24-14-16-28-22-18-20(6-7-21(22)24)5-4-19-8-10-27(11-9-19)15-17-29-23-25(2)12-13-26(23)3;1-18(26)27-17-14-22-10-8-20(9-11-22)3-2-19-4-6-21(7-5-19)23(12-15-24)13-16-25;1-16(23)25-14-12-22-9-7-17(8-10-22)3-4-18-5-6-19-20(15-18)24-13-11-21(19)2/h10-25,27-30H,9,26,31-37H2,1-8H3;5-7,9-18,20-21H,8,19,22-24H2,1-4H3;1-3,8-17,21-22H,4-7,18-20,23-24H2;3-17,20-21H,18-19H2,1-2H3;2-3,8-13,16-17,20-21H,4-7,14-15,18-19H2,1H3;6-7,10-16,18H,8-9,17,19-21H2,1-5H3;5-8,10-15,18-19H,9,16-17H2,1-4H3;6-12,15-17,19H,3-5,13-14,18H2,1-2H3;4-13,18H,14-17H2,1-3H3;2-11,24-25H,12-17H2,1H3;3-10,15H,11-14H2,1-2H3/q+4;+2;2*+1;3*+2;+1;+2;2*+1/b;;;;;;13-12+;;;;
InChIKeyGYTZONAXGZRGNW-GJAZNFNDSA-N
MW4969.17 g/mol
LogP50.97
Rot. Bonds103

About 3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium

3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium (PubChem CID 158406629) has the molecular formula C294H364N33O14S12+19 and a molecular weight of 4969.17 g/mol. Its IUPAC name is 3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium.

Molecular Properties

Compound Name3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium
PubChem CID158406629
Molecular FormulaC294H364N33O14S12+19
Molecular Weight4969.17 g/mol
Exact Mass4964.53
IUPAC Name3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium
SMILESCC(=O)SCCC[n+]1ccccc1/C=C/c1ccc(N(C)CCC[N+](C)(C)C)cc1.CC(=O)SCC[n+]1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1.CC(=O)SCC[n+]1ccc(/C=C/c2ccc3c(c2)OCCN3C)cc1.CN(C)c1ccc2cc(/C=C/c3cc[n+](CCSC(=O)c4ccccc4)cc3)ccc2c1.CN(CCC[N+](C)(C)C)c1ccc(/C=C/c2cc[n+](CCSC(=O)c3ccccc3)cc2)cc1.CN(CCC[N+](C)(C)C)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(C)CC[N+](C)(C)C)cc4)cc3)cc2)cc1.CN1CCCc2cc(/C=C/c3cc[n+](CCCSc4nccn4C)cc3)ccc21.CN1CCOc2cc(/C=C/c3cc[n+](CCSc4n(C)cc[n+]4C)cc3)ccc21.COc1cc(/C=C/c2cccc[n+]2CCCSc2cccc[n+]2C)cc(OC)c1OC.C[n+]1ccccc1SCC[n+]1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc1.O=C(OCc1ccccc1)SCCCC[n+]1ccc(/C=C/c2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C43H62N6S2.C29H37N3OS.C29H33N2O2S.C28H27N2OS.C27H31N3S.C25H37N3OS.C25H30N2O3S.C24H29N4S.C23H28N4OS.C21H27N2O3S.C20H23N2O2S/c1-44(26-9-34-48(3,4)5)42-18-14-38(15-19-42)10-12-40-22-27-46(28-23-40)32-36-50-51-37-33-47-29-24-41(25-30-47)13-11-39-16-20-43(21-17-39)45(2)31-35-49(6,7)8;1-30(19-8-23-32(2,3)4)28-15-13-25(14-16-28)11-12-26-17-20-31(21-18-26)22-24-34-29(33)27-9-6-5-7-10-27;32-29(33-24-27-8-2-1-3-9-27)34-23-7-6-18-30-21-16-26(17-22-30)11-10-25-12-14-28(15-13-25)31-19-4-5-20-31;1-29(2)27-13-12-25-20-23(10-11-26(25)21-27)9-8-22-14-16-30(17-15-22)18-19-32-28(31)24-6-4-3-5-7-24;1-28-13-3-2-8-26(28)31-19-18-29-16-11-22(12-17-29)9-10-23-20-24-6-4-14-30-15-5-7-25(21-23)27(24)30;1-22(29)30-21-9-19-27-18-7-6-10-25(27)16-13-23-11-14-24(15-12-23)26(2)17-8-20-28(3,4)5;1-26-14-7-6-11-24(26)31-17-9-16-27-15-8-5-10-21(27)13-12-20-18-22(28-2)25(30-4)23(19-20)29-3;1-26-13-3-5-22-19-21(8-9-23(22)26)7-6-20-10-15-28(16-11-20)14-4-18-29-24-25-12-17-27(24)2;1-24-14-16-28-22-18-20(6-7-21(22)24)5-4-19-8-10-27(11-9-19)15-17-29-23-25(2)12-13-26(23)3;1-18(26)27-17-14-22-10-8-20(9-11-22)3-2-19-4-6-21(7-5-19)23(12-15-24)13-16-25;1-16(23)25-14-12-22-9-7-17(8-10-22)3-4-18-5-6-19-20(15-18)24-13-11-21(19)2/h10-25,27-30H,9,26,31-37H2,1-8H3;5-7,9-18,20-21H,8,19,22-24H2,1-4H3;1-3,8-17,21-22H,4-7,18-20,23-24H2;3-17,20-21H,18-19H2,1-2H3;2-3,8-13,16-17,20-21H,4-7,14-15,18-19H2,1H3;6-7,10-16,18H,8-9,17,19-21H2,1-5H3;5-8,10-15,18-19H,9,16-17H2,1-4H3;6-12,15-17,19H,3-5,13-14,18H2,1-2H3;4-13,18H,14-17H2,1-3H3;2-11,24-25H,12-17H2,1H3;3-10,15H,11-14H2,1-2H3/q+4;+2;2*+1;3*+2;+1;+2;2*+1/b;;;;;;13-12+;;;;
InChIKeyGYTZONAXGZRGNW-GJAZNFNDSA-N
XLogP50.97
TPSA314.85 Ų
H-Bond Donors2
H-Bond Acceptors40
Rotatable Bonds103
Heavy Atoms353
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004969.17
LogP ≤ 550.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1040

Analyze 3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium?
The IUPAC name of 3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium (CID 158406629) is 3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium.
What is the SMILES notation for 3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium?
The canonical SMILES for 3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium is CC(=O)SCCC[n+]1ccccc1/C=C/c1ccc(N(C)CCC[N+](C)(C)C)cc1.CC(=O)SCC[n+]1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1.CC(=O)SCC[n+]1ccc(/C=C/c2ccc3c(c2)OCCN3C)cc1.CN(C)c1ccc2cc(/C=C/c3cc[n+](CCSC(=O)c4ccccc4)cc3)ccc2c1.CN(CCC[N+](C)(C)C)c1ccc(/C=C/c2cc[n+](CCSC(=O)c3ccccc3)cc2)cc1.CN(CCC[N+](C)(C)C)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(C)CC[N+](C)(C)C)cc4)cc3)cc2)cc1.CN1CCCc2cc(/C=C/c3cc[n+](CCCSc4nccn4C)cc3)ccc21.CN1CCOc2cc(/C=C/c3cc[n+](CCSc4n(C)cc[n+]4C)cc3)ccc21.COc1cc(/C=C/c2cccc[n+]2CCCSc2cccc[n+]2C)cc(OC)c1OC.C[n+]1ccccc1SCC[n+]1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc1.O=C(OCc1ccccc1)SCCCC[n+]1ccc(/C=C/c2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium?
The InChIKey is GYTZONAXGZRGNW-GJAZNFNDSA-N. The full InChI is InChI=1S/C43H62N6S2.C29H37N3OS.C29H33N2O2S.C28H27N2OS.C27H31N3S.C25H37N3OS.C25H30N2O3S.C24H29N4S.C23H28N4OS.C21H27N2O3S.C20H23N2O2S/c1-44(26-9-34-48(3,4)5)42-18-14-38(15-19-42)10-12-40-22-27-46(28-23-40)32-36-50-51-37-33-47-29-24-41(25-30-47)13-11-39-16-20-43(21-17-39)45(2)31-35-49(6,7)8;1-30(19-8-23-32(2,3)4)28-15-13-25(14-16-28)11-12-26-17-20-31(21-18-26)22-24-34-29(33)27-9-6-5-7-10-27;32-29(33-24-27-8-2-1-3-9-27)34-23-7-6-18-30-21-16-26(17-22-30)11-10-25-12-14-28(15-13-25)31-19-4-5-20-31;1-29(2)27-13-12-25-20-23(10-11-26(25)21-27)9-8-22-14-16-30(17-15-22)18-19-32-28(31)24-6-4-3-5-7-24;1-28-13-3-2-8-26(28)31-19-18-29-16-11-22(12-17-29)9-10-23-20-24-6-4-14-30-15-5-7-25(21-23)27(24)30;1-22(29)30-21-9-19-27-18-7-6-10-25(27)16-13-23-11-14-24(15-12-23)26(2)17-8-20-28(3,4)5;1-26-14-7-6-11-24(26)31-17-9-16-27-15-8-5-10-21(27)13-12-20-18-22(28-2)25(30-4)23(19-20)29-3;1-26-13-3-5-22-19-21(8-9-23(22)26)7-6-20-10-15-28(16-11-20)14-4-18-29-24-25-12-17-27(24)2;1-24-14-16-28-22-18-20(6-7-21(22)24)5-4-19-8-10-27(11-9-19)15-17-29-23-25(2)12-13-26(23)3;1-18(26)27-17-14-22-10-8-20(9-11-22)3-2-19-4-6-21(7-5-19)23(12-15-24)13-16-25;1-16(23)25-14-12-22-9-7-17(8-10-22)3-4-18-5-6-19-20(15-18)24-13-11-21(19)2/h10-25,27-30H,9,26,31-37H2,1-8H3;5-7,9-18,20-21H,8,19,22-24H2,1-4H3;1-3,8-17,21-22H,4-7,18-20,23-24H2;3-17,20-21H,18-19H2,1-2H3;2-3,8-13,16-17,20-21H,4-7,14-15,18-19H2,1H3;6-7,10-16,18H,8-9,17,19-21H2,1-5H3;5-8,10-15,18-19H,9,16-17H2,1-4H3;6-12,15-17,19H,3-5,13-14,18H2,1-2H3;4-13,18H,14-17H2,1-3H3;2-11,24-25H,12-17H2,1H3;3-10,15H,11-14H2,1-2H3/q+4;+2;2*+1;3*+2;+1;+2;2*+1/b;;;;;;13-12+;;;;.
What are the key properties of 3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium?
3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium has a molecular weight of 4969.17 g/mol, XLogP of 50.97, 103 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-2-[1-(3-acetylsulfanylpropyl)pyridin-1-ium-2-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;3-[4-[(E)-2-[1-(2-benzoylsulfanylethyl)pyridin-1-ium-4-yl]ethenyl]-N-methylanilino]propyl-trimethylazanium;benzyl 4-[4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium-1-yl]butylsulfanylformate;S-[2-[4-[(E)-2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;S-[2-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl] benzenecarbothioate;7-[(E)-2-[1-[2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine;S-[2-[4-[(E)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)ethenyl]pyridin-1-ium-1-yl]ethyl] ethanethioate;1-methyl-6-[(E)-2-[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyridin-1-ium-4-yl]ethenyl]-3,4-dihydro-2H-quinoline;7-[(E)-2-[1-[2-(1-methylpyridin-1-ium-2-yl)sulfanylethyl]pyridin-1-ium-4-yl]ethenyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1-methyl-2-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propylsulfanyl]pyridin-1-ium;trimethyl-[3-[N-methyl-4-[(E)-2-[1-[2-[2-[4-[(E)-2-[4-[methyl-[2-(trimethylazaniumyl)ethyl]amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]anilino]propyl]azanium is sourced from PubChem (CID 158406629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).