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

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-[(4-propan-2-ylphenyl)amino]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-isopentyl-1-(4-isopropylanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-(4-propan-2-ylanilino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-(4-propan-2-ylanilino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-cumidino-2-isoamyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C27H31N4+ MolecularWeight: 411.56184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4/c1-17(2)10-15-22-19(5)23(16-28)27-30-24-8-6-7-9-25(24)31(27)26(22)29-21-13-11-20(12-14-21)18(3)4/h6-9,11-14,17-18H,10,15H2,1-5H3,(H,29,30)/p+1