(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (3R)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (3R)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (3R)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: (3R)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H20N3O4+ MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C21H19N3O4/c1-14-5-7-17(8-6-14)24-12-15(10-19(24)25)21(27)28-13-16-11-20(26)23-9-3-2-4-18(23)22-16/h2-9,11,15H,10,12-13H2,1H3/p+1/t15-/m1/s1