RefChem:452821

3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile;zinc;trihydrochloride

Also Known As: EINECS 274-478-6|2-(2-(4-((2-Cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium trichlorozincate|2-[2-[4-[(2-CYANOETHYL)METHYLAMINO]PHENYL]VINYL]-1,3,3-TRIMETHYL-3H-INDOLIUM TRICHLOROZINCATE|3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, trichlorozincate(1-)|3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, trichlorozincate(1-) (1:1)|274-478-6|3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile; zinc; trihydrochloride|3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino] phenyl]ethenyl]-1,3,3-trimethyl-, trichlorozincate(1-)|3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, trichlorozincate(1-)

Molecular Formula	C23H29Cl3N3Zn+
Molecular Weight	516.07184 g/mol
LogP	6.01878
Topological Polar Surface Area	30.04 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	5
Exact Mass	516.07184
Monoisotopic Mass	516.07184
Heavy Atoms	30
Complexity	916.0357

Chemical Identifiers

CAS Number	70236-45-2
SMILES	CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCC#N)C)C.Cl.Cl.Cl.[Zn]