(2S)-2-azaniumyl-3-(3-methyl-2-oxidanylidene-1H-quinolin-6-yl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(3-methyl-2-oxidanylidene-1H-quinolin-6-yl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanoate CAS Name: (2S)-2-ammonio-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanoate Traditional Name: (2S)-2-ammonio-3-(2-keto-3-methyl-1H-quinolin-6-yl)propionate Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=C2)CC(C(=O)[O-])[NH3+])NC1=O

Isomeric SMILES

CC1=CC2=C(C=CC(=C2)C[C@@H](C(=O)[O-])[NH3+])NC1=O

InChI

InChI=1S/C13H14N2O3/c1-7-4-9-5-8(6-10(14)13(17)18)2-3-11(9)15-12(7)16/h2-5,10H,6,14H2,1H3,(H,15,16)(H,17,18)/t10-/m0/s1