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

Systemtic Name: 3-methyl-2-(phenylmethyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-benzyl-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-(phenylmethyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-benzyl-1-(4-benzylpiperazin-4-ium-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-benzyl-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C31H30N5+ MolecularWeight: 472.6034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)N5CC[NH+](CC5)CC6=CC=CC=C6)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)N5CC[NH+](CC5)CC6=CC=CC=C6)C#N

InChI

InChI=1S/C31H29N5/c1-23-26(20-24-10-4-2-5-11-24)31(35-18-16-34(17-19-35)22-25-12-6-3-7-13-25)36-29-15-9-8-14-28(29)33-30(36)27(23)21-32/h2-15H,16-20,22H2,1H3/p+1