1-[4-(4-methylphenyl)piperazin-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[4-(4-methylphenyl)piperazin-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 3-propyl-1-[4-(p-tolyl)piperazin-1-yl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[4-(4-methylphenyl)-1-piperazinyl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[4-(4-methylphenyl)piperazin-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 3-propyl-1-[4-(p-tolyl)piperazino]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C26H28N5+ MolecularWeight: 410.53402

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCN(CC4)C5=CC=C(C=C5)C

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCN(CC4)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H27N5/c1-3-6-20-17-25(30-15-13-29(14-16-30)21-11-9-19(2)10-12-21)31-24-8-5-4-7-23(24)28-26(31)22(20)18-27/h4-5,7-12,17H,3,6,13-16H2,1-2H3/p+1