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

Systemtic Name: 3-methyl-2-propan-2-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-isopropyl-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-propan-2-yl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-2-propan-2-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-isopropyl-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H27N6+ MolecularWeight: 411.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1C(C)C)N4CCN(CC4)C5=CC=CC=[NH+]5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1C(C)C)N4CCN(CC4)C5=CC=CC=[NH+]5)C#N

InChI

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