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

Systemtic Name: 2-(2-cyanoethyl)-3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-(2-cyanoethyl)-3-methyl-1-[4-(2-methylallyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-(2-cyanoethyl)-3-methyl-1-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-(2-cyanoethyl)-3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-(2-cyanoethyl)-3-methyl-1-[4-(2-methylallyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C24H27N6+ MolecularWeight: 399.51138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6/c1-17(2)16-28-11-13-29(14-12-28)24-19(7-6-10-25)18(3)20(15-26)23-27-21-8-4-5-9-22(21)30(23)24/h4-5,8-9H,1,6-7,11-14,16H2,2-3H3/p+1