AC1O5A96

3-[N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methyl-4-[(E)-2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]anilino]propanenitrile;zinc;disulfate

Also Known As: Zinc(4+), bis(2-(2-(4-((2-cyanoethyl)(2-(2,5-dioxo-1-pyrrolidinyl)ethyl)amino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-3H-indolium)-, sulfate (1:2)|2-(4'-((N-(beta-Cyanoethyl)-N-(beta-succinimidoethyl))amino)-2'-methylstyryl)-1,3,3-trimethylindolinum sulfate zinc sulfate double salt|2-(4-((N-(Beta-cyanoethyl)-N-(beta-succinimidoethyl))amino)-2-methylstyryl)-1,3,3-trimethylindolinum sulfate zinc sulfate double salt|3-[N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methyl-4-[(E)-2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]anilino]propanenitrile; zinc; disulfate|Zinc(4), bis[2-[2-[4-[(2-cyanoethyl)[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]amino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-3H-indolium]-, sulfate (1:2)|Zinc(4+), bis[2-[2-[4-[(2-cyanoethyl)[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]amino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-3H-indolium]-, sulfate (1:2)

Molecular Formula	C29H34N4O10S2Zn-4
Molecular Weight	726.10077 g/mol
LogP	1.995
Topological Polar Surface Area	228.17 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	13
Rotatable Bonds	8
Exact Mass	726.10077
Monoisotopic Mass	726.10077
Heavy Atoms	46
Complexity	1612.7253

Chemical Identifiers

CAS Number	64282-98-0
SMILES	CC1=C(C=CC(=C1)N(CCC#N)CCN2C(=O)CCC2=O)/C=C/C3C(C4=CC=CC=C4N3C)(C)C.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zn]