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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NC4=CC=C(C=C4)C

Isomeric SMILES

CCCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NC4=CC=C(C=C4)C

InChI

InChI=1S/C25H26N4/c1-4-5-6-9-20-18(3)21(16-26)25-28-22-10-7-8-11-23(22)29(25)24(20)27-19-14-12-17(2)13-15-19/h7-8,10-15H,4-6,9H2,1-3H3,(H,27,28)/p+1