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

Systemtic Name: 3-methyl-1-(4-phenylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-(4-phenylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-(4-phenyl-1-piperazin-4-iumyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-(4-phenylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-(4-phenylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H22N5+ MolecularWeight: 368.45428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C23H21N5/c1-17-15-22(27-13-11-26(12-14-27)18-7-3-2-4-8-18)28-21-10-6-5-9-20(21)25-23(28)19(17)16-24/h2-10,15H,11-14H2,1H3/p+1