2-[(4-chlorophenyl)methyl]-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-(4-chlorobenzyl)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H26ClN6+ MolecularWeight: 494.00994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=C(C=C4)Cl)N5CCN(CC5)C6=CC=CC=[NH+]6)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=C(C=C4)Cl)N5CCN(CC5)C6=CC=CC=[NH+]6)C#N

InChI

InChI=1S/C29H25ClN6/c1-20-23(18-21-9-11-22(30)12-10-21)29(35-16-14-34(15-17-35)27-8-4-5-13-32-27)36-26-7-3-2-6-25(26)33-28(36)24(20)19-31/h2-13H,14-18H2,1H3/p+1