1-[(4-chlorophenyl)amino]-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[(4-chlorophenyl)amino]-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(4-chloroanilino)-2-isopentyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(4-chloroanilino)-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(4-chloroanilino)-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(4-chloroanilino)-2-isoamyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C24H24ClN4+ MolecularWeight: 403.92716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C24H23ClN4/c1-15(2)8-13-19-16(3)20(14-26)24-28-21-6-4-5-7-22(21)29(24)23(19)27-18-11-9-17(25)10-12-18/h4-7,9-12,15H,8,13H2,1-3H3,(H,27,28)/p+1