(2S)-2-azaniumyl-3-(2-oxidanylidene-1H-quinolin-4-yl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(2-oxidanylidene-1H-quinolin-4-yl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(2-oxo-1H-quinolin-4-yl)propanoate CAS Name: (2S)-2-ammonio-3-(2-oxo-1H-quinolin-4-yl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(2-oxo-1H-quinolin-4-yl)propanoate Traditional Name: (2S)-2-ammonio-3-(2-keto-1H-quinolin-4-yl)propionate Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H12N2O3/c13-9(12(16)17)5-7-6-11(15)14-10-4-2-1-3-8(7)10/h1-4,6,9H,5,13H2,(H,14,15)(H,16,17)/t9-/m0/s1