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

Systemtic Name: (8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (3R)-3-acetamido-3-(4-methylphenyl)propanoate Openeye Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (3R)-3-acetamido-3-(p-tolyl)propanoate CAS Name: (3R)-3-acetamido-3-(4-methylphenyl)propanoic acid (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (3R)-3-acetamido-3-(4-methylphenyl)propanoate Traditional Name: (3R)-3-acetamido-3-(p-tolyl)propionic acid (4-keto-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OCC2=CC(=O)[N+]3=C(N2)C=C(C=C3)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CC(=O)OCC2=CC(=O)[N+]3=C(N2)C=C(C=C3)C)NC(=O)C

InChI

InChI=1S/C22H23N3O4/c1-14-4-6-17(7-5-14)19(23-16(3)26)12-22(28)29-13-18-11-21(27)25-9-8-15(2)10-20(25)24-18/h4-11,19H,12-13H2,1-3H3,(H,23,26)/p+1/t19-/m1/s1