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

Systemtic Name: 1-[(3,4-dimethylphenyl)amino]-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(3,4-dimethylanilino)-2-isopentyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(3,4-dimethylanilino)-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(3,4-dimethylanilino)-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(3,4-dimethylanilino)-2-isoamyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C26H29N4+ MolecularWeight: 397.53526

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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)CCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4/c1-16(2)10-13-21-19(5)22(15-27)26-29-23-8-6-7-9-24(23)30(26)25(21)28-20-12-11-17(3)18(4)14-20/h6-9,11-12,14,16H,10,13H2,1-5H3,(H,28,29)/p+1