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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCN(CC4)C5=CC=CC=C5C

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCN(CC4)C5=CC=CC=C5C

InChI

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