2-[4-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H25N6O+ MolecularWeight: 389.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O/c1-3-8-24-20(29)15-26-9-11-27(12-10-26)21-13-16(2)17(14-23)22-25-18-6-4-5-7-19(18)28(21)22/h3-7,13H,1,8-12,15H2,2H3,(H,24,29)/p+1