3-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-(4-phenylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-(4-phenylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-(4-phenylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-1-(4-phenyl-1-piperazinyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-(4-phenylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-(4-phenylpiperazino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C35H38N7+ MolecularWeight: 556.72312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC[NH+]4CCN(CC4)C5=CC=CC=C5)N6CCN(CC6)C7=CC=CC=C7)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC[NH+]4CCN(CC4)C5=CC=CC=C5)N6CCN(CC6)C7=CC=CC=C7)C#N

InChI

InChI=1S/C35H37N7/c1-27-30(16-17-38-18-20-39(21-19-38)28-10-4-2-5-11-28)35(41-24-22-40(23-25-41)29-12-6-3-7-13-29)42-33-15-9-8-14-32(33)37-34(42)31(27)26-36/h2-15H,16-25H2,1H3/p+1