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

Systemtic Name: 1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(4-cyclohexyl-1-piperazin-4-iumyl)-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H28N5+ MolecularWeight: 374.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)C5CCCCC5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)C5CCCCC5)C#N

InChI

InChI=1S/C23H27N5/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/h5-6,9-10,15,18H,2-4,7-8,11-14H2,1H3/p+1