1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide

C322H464Br2IN24O13S12+13 — CID 158447767

IUPAC1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide
SMILESCCC(C)(C)c1ccc([IH+])cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CN1CCC(N2CCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC([N+](C)(C)C)CC1.CN1CCC([N+](C)(C)C)CC1.CN1CCN(C)CC1.COC1CCN(C)CC1.COc1ccc(CC(N)C(=O)OC(C)(C)C)cc1.COc1ccc(N2CCCCC2)cc1.COc1ccc(N2CCCCC2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccc(O)cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.[Br-].[Br-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17S.C18H23OS.3C18H15S.C14H21NO3.2C13H16NS.2C12H17NO.C12H14O2S.4C12H15OS.C11H16I.5C11H22N2.C10H20N2.2C9H21N2.C7H15NO.C6H14N2.2BrH/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2,3)18-13(16)12(15)9-10-5-7-11(17-4)8-6-10;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;2*1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13;13-11-5-3-10(4-6-11)12(14)9-15-7-1-2-8-15;4*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-4-11(2,3)9-5-7-10(12)8-6-9;5*1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-11-8-4-10(5-9-11)12-6-2-3-7-12;2*1-10-7-5-9(6-8-10)11(2,3)4;1-8-5-3-7(9-2)4-6-8;1-7-3-5-8(2)6-4-7;;/h2-15H,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;5-8,12H,9,15H2,1-4H3;2*2-3,6-7,10H,4-5,8-9H2,1H3;2*5-8H,2-4,9-10H2,1H3;3-6H,1-2,7-9H2;4*1-3,6-7H,4-5,8-10H2;5-8,12H,4H2,1-3H3;5*11H,2-10H2,1H3;10H,2-9H2,1H3;2*9H,5-8H2,1-4H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;2*1H/q5*+1;;2*+1;;;;5*+1;;;;;;;2*+1;;;;/p-1
InChIKeyJIEFDCWNSZIFJO-UHFFFAOYSA-M
MW5550.93 g/mol
LogP53.53
Rot. Bonds53

About 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide (PubChem CID 158447767) has the molecular formula C322H464Br2IN24O13S12+13 and a molecular weight of 5550.93 g/mol. Its IUPAC name is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide.

Molecular Properties

Compound Name1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide
PubChem CID158447767
Molecular FormulaC322H464Br2IN24O13S12+13
Molecular Weight5550.93 g/mol
Exact Mass5544.04
IUPAC Name1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide
SMILESCCC(C)(C)c1ccc([IH+])cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CN1CCC(N2CCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC([N+](C)(C)C)CC1.CN1CCC([N+](C)(C)C)CC1.CN1CCN(C)CC1.COC1CCN(C)CC1.COc1ccc(CC(N)C(=O)OC(C)(C)C)cc1.COc1ccc(N2CCCCC2)cc1.COc1ccc(N2CCCCC2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccc(O)cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.[Br-].[Br-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17S.C18H23OS.3C18H15S.C14H21NO3.2C13H16NS.2C12H17NO.C12H14O2S.4C12H15OS.C11H16I.5C11H22N2.C10H20N2.2C9H21N2.C7H15NO.C6H14N2.2BrH/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2,3)18-13(16)12(15)9-10-5-7-11(17-4)8-6-10;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;2*1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13;13-11-5-3-10(4-6-11)12(14)9-15-7-1-2-8-15;4*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-4-11(2,3)9-5-7-10(12)8-6-9;5*1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-11-8-4-10(5-9-11)12-6-2-3-7-12;2*1-10-7-5-9(6-8-10)11(2,3)4;1-8-5-3-7(9-2)4-6-8;1-7-3-5-8(2)6-4-7;;/h2-15H,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;5-8,12H,9,15H2,1-4H3;2*2-3,6-7,10H,4-5,8-9H2,1H3;2*5-8H,2-4,9-10H2,1H3;3-6H,1-2,7-9H2;4*1-3,6-7H,4-5,8-10H2;5-8,12H,4H2,1-3H3;5*11H,2-10H2,1H3;10H,2-9H2,1H3;2*9H,5-8H2,1-4H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;2*1H/q5*+1;;2*+1;;;;5*+1;;;;;;;2*+1;;;;/p-1
InChIKeyJIEFDCWNSZIFJO-UHFFFAOYSA-M
XLogP53.53
TPSA275.47 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds53
Heavy Atoms374
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005550.93
LogP ≤ 553.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide with MolForge

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Related Compounds

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-dibenzothiophen-5-ium-5-ylphenol;N-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine;N-ethyl-5-(4-phenylpiperazin-1-yl)pentan-1-amine;N-ethyl-4-(4-phenylpiperazin-1-yl)sulfonylbutan-1-amine;N-ethyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-amine;methyl(diphenyl)sulfanium;1-methyl-4-pentylpiperazine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);1-phenyl-1-benzothiophen-1-ium;piperidine-4-carboxylate;piperidine-4-sulfonate;N-(2,2,2-trifluoroethyl)benzenecarboximidate
CID 158537987
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxyphenyl)piperidine;[4-(2-methylbutan-2-yl)phenyl]iodanium;tris(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;1-methyl-3-(thiolan-1-ium-1-yl)indole;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);trimethyl-(1-methylpiperidin-4-yl)azanium;bromide
CID 157365074
(4-Butan-2-ylphenyl)-[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide
CID 157891454
Bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxyphenyl)piperidine;tris(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 158541507
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;tetrakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);trimethyl-(1-methylpiperidin-4-yl)azanium;triphenylsulfanium;bromide
CID 158563194
Bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(1-(4-methoxyphenyl)piperidine);tris(1-methyl-4-piperidin-1-ylpiperidine);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 159229991
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;tris(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 159480729
Bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(1,4-dimethylpiperazine);3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;ethenyl-hydroxy-methylidene-lambda4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;4-methoxy-1-methylpiperidine;1-(4-methoxyphenyl)piperidine;bis((4-methylphenyl)-diphenylsulfanium);tetrakis(1-methyl-4-piperidin-1-ylpiperidine);tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);4-oxidoperoxymorpholine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;trimethyl-(1-methylpiperidin-4-yl)azanium;bis(1,1,4-trimethylpiperazin-1-ium);pentakis(triphenylsulfanium);tribromide
CID 159573887
Bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(1-(4-methoxyphenyl)piperidine);tetrakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);trimethyl-(1-methylpiperidin-4-yl)azanium;triphenylsulfanium;bromide
CID 159932026
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;1,4-dimethylpiperazine;1-methoxy-4-methylpiperazine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;tris(1-methyl-3-(thiolan-1-ium-1-yl)indole);pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);bis(1,1,4-trimethylpiperazin-1-ium);tris(triphenylsulfanium);tetrabromide
CID 160419110
Bis[4-(2-methylbutan-2-yl)phenyl]iodanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxyphenyl)piperidine;tris(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;1-methyl-3-(thiolan-1-ium-1-yl)indole;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);trimethyl-(1-methylpiperidin-4-yl)azanium;bromide
CID 160749483
5-[4-(Carboxymethyl)piperazin-1-yl]pentyl-ethylazanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-dibenzothiophen-5-ium-5-ylphenol;5-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]pentyl-ethylazanide;ethyl-[5-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]pentyl]azanide;bis(ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide);1-ethyl-3-(thiolan-1-ium-1-yl)indole;methyl(diphenyl)sulfanium;3-(thiolan-1-ium-1-yl)-1-benzothiophene
CID 160916360

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide?
The IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide (CID 158447767) is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide.
What is the SMILES notation for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide?
The canonical SMILES for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide is CCC(C)(C)c1ccc([IH+])cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CN1CCC(N2CCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC([N+](C)(C)C)CC1.CN1CCC([N+](C)(C)C)CC1.CN1CCN(C)CC1.COC1CCN(C)CC1.COc1ccc(CC(N)C(=O)OC(C)(C)C)cc1.COc1ccc(N2CCCCC2)cc1.COc1ccc(N2CCCCC2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccc(O)cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.[Br-].[Br-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide?
The InChIKey is JIEFDCWNSZIFJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17S.C18H23OS.3C18H15S.C14H21NO3.2C13H16NS.2C12H17NO.C12H14O2S.4C12H15OS.C11H16I.5C11H22N2.C10H20N2.2C9H21N2.C7H15NO.C6H14N2.2BrH/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2,3)18-13(16)12(15)9-10-5-7-11(17-4)8-6-10;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;2*1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13;13-11-5-3-10(4-6-11)12(14)9-15-7-1-2-8-15;4*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-4-11(2,3)9-5-7-10(12)8-6-9;5*1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-11-8-4-10(5-9-11)12-6-2-3-7-12;2*1-10-7-5-9(6-8-10)11(2,3)4;1-8-5-3-7(9-2)4-6-8;1-7-3-5-8(2)6-4-7;;/h2-15H,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;5-8,12H,9,15H2,1-4H3;2*2-3,6-7,10H,4-5,8-9H2,1H3;2*5-8H,2-4,9-10H2,1H3;3-6H,1-2,7-9H2;4*1-3,6-7H,4-5,8-10H2;5-8,12H,4H2,1-3H3;5*11H,2-10H2,1H3;10H,2-9H2,1H3;2*9H,5-8H2,1-4H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;2*1H/q5*+1;;2*+1;;;;5*+1;;;;;;;2*+1;;;;/p-1.
What are the key properties of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide?
1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide has a molecular weight of 5550.93 g/mol, XLogP of 53.53, 53 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tert-butyl 2-amino-3-(4-methoxyphenyl)propanoate;1,4-dimethylpiperazine;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;4-methoxy-1-methylpiperidine;bis(1-(4-methoxyphenyl)piperidine);[4-(2-methylbutan-2-yl)phenyl]iodanium;(4-methylphenyl)-diphenylsulfanium;pentakis(1-methyl-4-piperidin-1-ylpiperidine);1-methyl-4-pyrrolidin-1-ylpiperidine;bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(trimethyl-(1-methylpiperidin-4-yl)azanium);tris(triphenylsulfanium);dibromide is sourced from PubChem (CID 158447767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).