zinc [2-[4-[[4-[2-cyanoethyl(methyl)amino]phenyl]diazenyl]phenyl]-2-oxidanylidene-ethyl]-trimethyl-azanium tetrachloride

Systemtic Name: zinc [2-[4-[[4-[2-cyanoethyl(methyl)amino]phenyl]diazenyl]phenyl]-2-oxidanylidene-ethyl]-trimethyl-azanium tetrachloride Openeye Name: zinc [2-[4-[4-[2-cyanoethyl(methyl)amino]phenyl]azophenyl]-2-oxo-ethyl]-trimethyl-ammonium tetrachloride CAS Name: zinc [2-[4-[4-[2-cyanoethyl(methyl)amino]phenyl]azophenyl]-2-oxoethyl]-trimethylammonium tetrachloride IUPAC Name: zinc [2-[4-[[4-[2-cyanoethyl(methyl)amino]phenyl]diazenyl]phenyl]-2-oxoethyl]-trimethylazanium tetrachloride Traditional Name: zinc [2-[4-[4-[2-cyanoethyl(methyl)amino]phenyl]azophenyl]-2-keto-ethyl]-trimethyl-ammonium tetrachloride Formula: C42H52Cl4N10O2Zn MolecularWeight: 936.14908

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)C[N+](C)(C)C.CN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)C[N+](C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

CN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)C[N+](C)(C)C.CN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)C[N+](C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/2C21H26N5O.4ClH.Zn/c2*1-25(15-5-14-22)20-12-10-19(11-13-20)24-23-18-8-6-17(7-9-18)21(27)16-26(2,3)4;;;;;/h2*6-13H,5,15-16H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4