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

Systemtic Name: 3-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H23N6+ MolecularWeight: 383.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC5=CN=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC5=CN=CC=C5)C#N

InChI

InChI=1S/C23H22N6/c1-17-13-22(28-11-9-27(10-12-28)16-18-5-4-8-25-15-18)29-21-7-3-2-6-20(21)26-23(29)19(17)14-24/h2-8,13,15H,9-12,16H2,1H3/p+1