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

Systemtic Name: 3-methyl-1-[(3-methylphenyl)amino]-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-benzyl-3-methyl-1-(3-methylanilino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-1-(3-methylanilino)-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-benzyl-3-methyl-1-(3-methylanilino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-benzyl-3-methyl-1-(m-toluidino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C27H23N4+ MolecularWeight: 403.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C(=C(C3=[N+]2C4=CC=CC=C4N3)C#N)C)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=C(C3=[N+]2C4=CC=CC=C4N3)C#N)C)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N4/c1-18-9-8-12-21(15-18)29-26-22(16-20-10-4-3-5-11-20)19(2)23(17-28)27-30-24-13-6-7-14-25(24)31(26)27/h3-15H,16H2,1-2H3,(H,29,30)/p+1