(2R)-4-(4-methoxyphenyl)-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-(4-methoxyphenyl)-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-methoxyphenyl)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(4-methoxyphenyl)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(4-methoxyphenyl)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-(4-methoxyphenyl)-2-(3-pyridylmethylammonio)butyrate Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CC2=CN=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CN=CC=C2

InChI

InChI=1S/C17H18N2O4/c1-23-14-6-4-13(5-7-14)16(20)9-15(17(21)22)19-11-12-3-2-8-18-10-12/h2-8,10,15,19H,9,11H2,1H3,(H,21,22)/t15-/m1/s1