2-butyl-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 2-butyl-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-butyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-butyl-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-butyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-butyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C34H36N5+ MolecularWeight: 514.68314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H35N5/c1-3-4-17-28-25(2)29(24-35)33-36-30-18-11-12-19-31(30)39(33)34(28)38-22-20-37(21-23-38)32(26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-16,18-19,32H,3-4,17,20-23H2,1-2H3/p+1