(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-phenoxypropanoate

Systemtic Name: (9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-phenoxypropanoate Openeye Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid (4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C19H19N2O4+ MolecularWeight: 339.36516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C(C)OC3=CC=CC=C3

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)[C@H](C)OC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4/c1-13-7-6-10-21-17(22)11-15(20-18(13)21)12-24-19(23)14(2)25-16-8-4-3-5-9-16/h3-11,14H,12H2,1-2H3/p+1/t14-/m0/s1