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

Systemtic Name: 3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-benzyl-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-(4-methyl-1-piperazin-4-iumyl)-2-(phenylmethyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-benzyl-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-benzyl-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H26N5+ MolecularWeight: 396.50744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5/c1-18-20(16-19-8-4-3-5-9-19)25(29-14-12-28(2)13-15-29)30-23-11-7-6-10-22(23)27-24(30)21(18)17-26/h3-11H,12-16H2,1-2H3/p+1