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

Systemtic Name: 2-butyl-3-methyl-1-[4-(4-methylpyridin-1-ium-2-yl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-butyl-3-methyl-1-[4-(4-methylpyridin-1-ium-2-yl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-butyl-3-methyl-1-[4-(4-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-butyl-3-methyl-1-[4-(4-methylpyridin-1-ium-2-yl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-butyl-3-methyl-1-[4-(4-methylpyridin-1-ium-2-yl)piperazino]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H31N6+ MolecularWeight: 439.57524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=[NH+]C=CC(=C5)C

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=[NH+]C=CC(=C5)C

InChI

InChI=1S/C27H30N6/c1-4-5-8-21-20(3)22(18-28)26-30-23-9-6-7-10-24(23)33(26)27(21)32-15-13-31(14-16-32)25-17-19(2)11-12-29-25/h6-7,9-12,17H,4-5,8,13-16H2,1-3H3/p+1