About 3-[[2-[2-(2-aminoethyldisulfanyl)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-[1-[2-(2-aminoethyldisulfanyl)ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;3-[[2-[2-[2-[1,3-dioxo-6-[3-(trimethylazaniumyl)propylamino]benzo[de]isoquinolin-2-yl]ethyldisulfanyl]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]aniline;N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline
3-[[2-[2-(2-aminoethyldisulfanyl)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-[1-[2-(2-aminoethyldisulfanyl)ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;3-[[2-[2-[2-[1,3-dioxo-6-[3-(trimethylazaniumyl)propylamino]benzo[de]isoquinolin-2-yl]ethyldisulfanyl]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]aniline;N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline (PubChem CID 158236704) has the molecular formula C156H205N23O6S12+8
and a molecular weight of 2883.31 g/mol. Its IUPAC name is 3-[[2-[2-(2-aminoethyldisulfanyl)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-[1-[2-(2-aminoethyldisulfanyl)ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;3-[[2-[2-[2-[1,3-dioxo-6-[3-(trimethylazaniumyl)propylamino]benzo[de]isoquinolin-2-yl]ethyldisulfanyl]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]aniline;N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline.
Frequently Asked Questions
What is the IUPAC name of 3-[[2-[2-(2-aminoethyldisulfanyl)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-[1-[2-(2-aminoethyldisulfanyl)ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;3-[[2-[2-[2-[1,3-dioxo-6-[3-(trimethylazaniumyl)propylamino]benzo[de]isoquinolin-2-yl]ethyldisulfanyl]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]aniline;N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline?
The IUPAC name of 3-[[2-[2-(2-aminoethyldisulfanyl)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-[1-[2-(2-aminoethyldisulfanyl)ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;3-[[2-[2-[2-[1,3-dioxo-6-[3-(trimethylazaniumyl)propylamino]benzo[de]isoquinolin-2-yl]ethyldisulfanyl]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]aniline;N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline (CID 158236704) is 3-[[2-[2-(2-aminoethyldisulfanyl)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-[1-[2-(2-aminoethyldisulfanyl)ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;3-[[2-[2-[2-[1,3-dioxo-6-[3-(trimethylazaniumyl)propylamino]benzo[de]isoquinolin-2-yl]ethyldisulfanyl]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]aniline;N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline.
What is the SMILES notation for 3-[[2-[2-(2-aminoethyldisulfanyl)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-[1-[2-(2-aminoethyldisulfanyl)ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;3-[[2-[2-[2-[1,3-dioxo-6-[3-(trimethylazaniumyl)propylamino]benzo[de]isoquinolin-2-yl]ethyldisulfanyl]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]aniline;N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline?
The canonical SMILES for 3-[[2-[2-(2-aminoethyldisulfanyl)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-[1-[2-(2-aminoethyldisulfanyl)ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;3-[[2-[2-[2-[1,3-dioxo-6-[3-(trimethylazaniumyl)propylamino]benzo[de]isoquinolin-2-yl]ethyldisulfanyl]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]aniline;N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline is CC[n+]1ccccc1/C=C/c1ccc(N(C)CCSSCCNC)cc1.CN(C)c1ccc(/C=C/c2cccc[n+]2CCSSCCN)cc1.CN(C)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(C)C)cc2)cc1.CNCCSSCCN(C)c1ccc(/C=C/c2cccc[n+]2C)cc1.C[N+](C)(C)CCCNc1ccc2c3c(cccc13)C(=O)N(CCSSCCN)C2=O.C[N+](C)(C)CCCNc1ccc2c3c(cccc13)C(=O)N(CCSSCCN1C(=O)c3cccc4c(NCCC[N+](C)(C)C)ccc(c34)C1=O)C2=O.
What is the InChIKey of 3-[[2-[2-(2-aminoethyldisulfanyl)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-[1-[2-(2-aminoethyldisulfanyl)ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;3-[[2-[2-[2-[1,3-dioxo-6-[3-(trimethylazaniumyl)propylamino]benzo[de]isoquinolin-2-yl]ethyldisulfanyl]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]aniline;N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline?
The InChIKey is DHJRJXJEJXPHKY-UHFFFAOYSA-Q. The full InChI is InChI=1S/C40H48N6O4S2.C34H40N4S2.C22H30N4O2S2.C21H30N3S2.C20H28N3S2.C19H26N3S2/c1-45(2,3)23-9-19-41-33-17-15-31-35-27(33)11-7-13-29(35)37(47)43(39(31)49)21-25-51-52-26-22-44-38(48)30-14-8-12-28-34(42-20-10-24-46(4,5)6)18-16-32(36(28)30)40(44)50;1-35(2)31-17-11-29(12-18-31)15-21-33-9-5-7-23-37(33)25-27-39-40-28-26-38-24-8-6-10-34(38)22-16-30-13-19-32(20-14-30)36(3)4;1-26(2,3)13-5-11-24-19-9-8-18-20-16(19)6-4-7-17(20)21(27)25(22(18)28)12-15-30-29-14-10-23;1-4-24-15-6-5-7-21(24)13-10-19-8-11-20(12-9-19)23(3)16-18-26-25-17-14-22-2;1-21-13-16-24-25-17-15-23(3)20-11-8-18(9-12-20)7-10-19-6-4-5-14-22(19)2;1-21(2)18-9-6-17(7-10-18)8-11-19-5-3-4-13-22(19)14-16-24-23-15-12-20/h7-8,11-18H,9-10,19-26H2,1-6H3;5-24H,25-28H2,1-4H3;4,6-9H,5,10-15,23H2,1-3H3;5-13,15,22H,4,14,16-18H2,1-3H3;4-12,14,21H,13,15-17H2,1-3H3;3-11,13H,12,14-16,20H2,1-2H3/q;+2;;3*+1/p+3.
What are the key properties of 3-[[2-[2-(2-aminoethyldisulfanyl)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-[1-[2-(2-aminoethyldisulfanyl)ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;3-[[2-[2-[2-[1,3-dioxo-6-[3-(trimethylazaniumyl)propylamino]benzo[de]isoquinolin-2-yl]ethyldisulfanyl]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]aniline;N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline?
3-[[2-[2-(2-aminoethyldisulfanyl)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-[1-[2-(2-aminoethyldisulfanyl)ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;3-[[2-[2-[2-[1,3-dioxo-6-[3-(trimethylazaniumyl)propylamino]benzo[de]isoquinolin-2-yl]ethyldisulfanyl]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]aniline;N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline has a molecular weight of 2883.31 g/mol, XLogP of 27.85, 71 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2-aminoethyldisulfanyl)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-[1-[2-(2-aminoethyldisulfanyl)ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;4-[(E)-2-[1-[2-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;3-[[2-[2-[2-[1,3-dioxo-6-[3-(trimethylazaniumyl)propylamino]benzo[de]isoquinolin-2-yl]ethyldisulfanyl]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]propyl-trimethylazanium;4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]aniline;N-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline is sourced from PubChem (CID 158236704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).