[4-[[4-[(4-acetamidophenyl)amino]phenyl]-[4-[2-cyanoethyl(methyl)amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-cyanoethyl)-methyl-azanium chloride

Systemtic Name: [4-[[4-[(4-acetamidophenyl)amino]phenyl]-[4-[2-cyanoethyl(methyl)amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-cyanoethyl)-methyl-azanium chloride Openeye Name: [4-[[4-(4-acetamidoanilino)phenyl]-[4-[2-cyanoethyl(methyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-(2-cyanoethyl)-methyl-ammonium chloride CAS Name: [4-[[4-(4-acetamidoanilino)phenyl]-[4-[2-cyanoethyl(methyl)amino]phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-(2-cyanoethyl)-methylammonium chloride IUPAC Name: [4-[[4-(4-acetamidoanilino)phenyl]-[4-[2-cyanoethyl(methyl)amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-cyanoethyl)-methylazanium chloride Traditional Name: [4-[[4-(4-acetamidoanilino)phenyl]-[4-[2-cyanoethyl(methyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-(2-cyanoethyl)-methyl-ammonium chloride Formula: C35H35ClN6O MolecularWeight: 591.145

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=[N+](C)CCC#N)C=C3)C4=CC=C(C=C4)N(C)CCC#N.[Cl-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=[N+](C)CCC#N)C=C3)C4=CC=C(C=C4)N(C)CCC#N.[Cl-]

InChI

InChI=1S/C35H34N6O.ClH/c1-26(42)38-30-14-16-32(17-15-30)39-31-12-6-27(7-13-31)35(28-8-18-33(19-9-28)40(2)24-4-22-36)29-10-20-34(21-11-29)41(3)25-5-23-37;/h6-21H,4-5,24-25H2,1-3H3,(H,38,42);1H