(4R)-4-azaniumyl-4-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)butanoate

Systemtic Name: (4R)-4-azaniumyl-4-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)butanoate Openeye Name: (4R)-4-azaniumyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoate CAS Name: (4R)-4-ammonio-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoate IUPAC Name: (4R)-4-azaniumyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoate Traditional Name: (4R)-4-ammonio-4-(2-keto-3,4-dihydro-1H-quinolin-6-yl)butyrate Formula: C13H16N2O3 MolecularWeight: 248.27774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C(CCC(=O)[O-])[NH3+]

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)[C@@H](CCC(=O)[O-])[NH3+]

InChI

InChI=1S/C13H16N2O3/c14-10(3-6-13(17)18)8-1-4-11-9(7-8)2-5-12(16)15-11/h1,4,7,10H,2-3,5-6,14H2,(H,15,16)(H,17,18)/t10-/m1/s1