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

Systemtic Name: 2-(2-cyanoethyl)-1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-(2-cyanoethyl)-1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-(2-cyanoethyl)-1-(4-cyclohexyl-1-piperazin-4-iumyl)-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-(2-cyanoethyl)-1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-(2-cyanoethyl)-1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H31N6+ MolecularWeight: 427.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC#N)N4CC[NH+](CC4)C5CCCCC5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC#N)N4CC[NH+](CC4)C5CCCCC5)C#N

InChI

InChI=1S/C26H30N6/c1-19-21(10-7-13-27)26(31-16-14-30(15-17-31)20-8-3-2-4-9-20)32-24-12-6-5-11-23(24)29-25(32)22(19)18-28/h5-6,11-12,20H,2-4,7-10,14-17H2,1H3/p+1