1-[4-(4-methylpyridin-1-ium-2-yl)piperazin-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[4-(4-methylpyridin-1-ium-2-yl)piperazin-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[4-(4-methylpyridin-1-ium-2-yl)piperazin-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[4-(4-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[4-(4-methylpyridin-1-ium-2-yl)piperazin-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-[4-(4-methylpyridin-1-ium-2-yl)piperazino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C25H28N6+2 MolecularWeight: 412.53002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCN(CC4)C5=[NH+]C=CC(=C5)C

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCN(CC4)C5=[NH+]C=CC(=C5)C

InChI

InChI=1S/C25H26N6/c1-3-6-19-16-24(30-13-11-29(12-14-30)23-15-18(2)9-10-27-23)31-22-8-5-4-7-21(22)28-25(31)20(19)17-26/h4-5,7-10,15-16H,3,6,11-14H2,1-2H3/p+2