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

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-[(4-methylphenyl)amino]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-isopentyl-3-methyl-1-(4-methylanilino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-1-(4-methylanilino)-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-1-(4-methylanilino)-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-isoamyl-3-methyl-1-(p-toluidino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C25H27N4+ MolecularWeight: 383.50868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(C3=[N+]2C4=CC=CC=C4N3)C#N)C)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(C3=[N+]2C4=CC=CC=C4N3)C#N)C)CCC(C)C

InChI

InChI=1S/C25H26N4/c1-16(2)9-14-20-18(4)21(15-26)25-28-22-7-5-6-8-23(22)29(25)24(20)27-19-12-10-17(3)11-13-19/h5-8,10-13,16H,9,14H2,1-4H3,(H,27,28)/p+1