AC1O5W3Y

3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile sulfate

Also Known As: 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1)|3-[ethyl-[3-methyl-4-[(E)-2-(1,3,3-trimethylindol-2-yl)ethenyl]phenyl]amino]propanenitrile Sulfate|3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile sulfate|3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino] -2-methylphenyl]ethenyl]-1,3,3-trimethyl -, sulfate (1:1)|3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, sulfate (1:1)

Molecular Formula	C25H30N3O4S-
Molecular Weight	468.1957 g/mol
LogP	4.1164
Topological Polar Surface Area	110.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	468.1957
Monoisotopic Mass	468.1957
Heavy Atoms	33
Complexity	1200.3981

Chemical Identifiers

CAS Number	74398-70-2
SMILES	CCN(CCC#N)C1=CC(=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C)C.[O-]S(=O)(=O)[O-]