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

Systemtic Name: 3-methyl-2-prop-2-enyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-allyl-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-prop-2-enyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-2-prop-2-enyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-allyl-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H25N6+ MolecularWeight: 409.5062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CCN(CC4)C5=CC=CC=[NH+]5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CCN(CC4)C5=CC=CC=[NH+]5)C#N

InChI

InChI=1S/C25H24N6/c1-3-8-19-18(2)20(17-26)24-28-21-9-4-5-10-22(21)31(24)25(19)30-15-13-29(14-16-30)23-11-6-7-12-27-23/h3-7,9-12H,1,8,13-16H2,2H3/p+1