(2S)-6-ethyl-4-oxidanylidene-2,3-dihydro-1H-quinolin-1-ium-2-carboxylate

Systemtic Name: (2S)-6-ethyl-4-oxidanylidene-2,3-dihydro-1H-quinolin-1-ium-2-carboxylate Openeye Name: (2S)-6-ethyl-4-oxo-2,3-dihydro-1H-quinolin-1-ium-2-carboxylate CAS Name: (2S)-6-ethyl-4-oxo-2,3-dihydro-1H-quinolin-1-ium-2-carboxylate IUPAC Name: (2S)-6-ethyl-4-oxo-2,3-dihydro-1H-quinolin-1-ium-2-carboxylate Traditional Name: (2S)-6-ethyl-4-keto-2,3-dihydro-1H-quinolin-1-ium-2-carboxylate Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)[NH2+]C(CC2=O)C(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)[NH2+][C@@H](CC2=O)C(=O)[O-]

InChI

InChI=1S/C12H13NO3/c1-2-7-3-4-9-8(5-7)11(14)6-10(13-9)12(15)16/h3-5,10,13H,2,6H2,1H3,(H,15,16)/t10-/m0/s1