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

Systemtic Name: 1-[(3,4-dimethylphenyl)amino]-3-methyl-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-benzyl-1-(3,4-dimethylanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(3,4-dimethylanilino)-3-methyl-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-benzyl-1-(3,4-dimethylanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-benzyl-1-(3,4-dimethylanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C28H25N4+ MolecularWeight: 417.5249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4/c1-18-13-14-22(15-19(18)2)30-27-23(16-21-9-5-4-6-10-21)20(3)24(17-29)28-31-25-11-7-8-12-26(25)32(27)28/h4-15H,16H2,1-3H3,(H,30,31)/p+1