N-(3-chlorophenyl)-3-(4-cyano-3-methyl-1-oxidanylidene-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-2-yl)propanamide

Systemtic Name: N-(3-chlorophenyl)-3-(4-cyano-3-methyl-1-oxidanylidene-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-2-yl)propanamide Openeye Name: N-(3-chlorophenyl)-3-(4-cyano-3-methyl-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-2-yl)propanamide CAS Name: N-(3-chlorophenyl)-3-(4-cyano-3-methyl-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-2-yl)propanamide IUPAC Name: N-(3-chlorophenyl)-3-(4-cyano-3-methyl-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-2-yl)propanamide Traditional Name: N-(3-chlorophenyl)-3-(4-cyano-1-keto-3-methyl-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-2-yl)propionamide Formula: C22H18ClN4O2+ MolecularWeight: 405.85692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C3C=CC=CC3NC2=C1C#N)CCC(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=O)[N+]2=C3C=CC=CC3NC2=C1C#N)CCC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H17ClN4O2/c1-13-16(9-10-20(28)25-15-6-4-5-14(23)11-15)22(29)27-19-8-3-2-7-18(19)26-21(27)17(13)12-24/h2-8,11,18H,9-10H2,1H3,(H-,25,26,28,29)/p+1