(2S)-6,8-dimethyl-4-oxidanylidene-2,3-dihydro-1H-quinolin-1-ium-2-carboxylate

Systemtic Name: (2S)-6,8-dimethyl-4-oxidanylidene-2,3-dihydro-1H-quinolin-1-ium-2-carboxylate Openeye Name: (2S)-6,8-dimethyl-4-oxo-2,3-dihydro-1H-quinolin-1-ium-2-carboxylate CAS Name: (2S)-6,8-dimethyl-4-oxo-2,3-dihydro-1H-quinolin-1-ium-2-carboxylate IUPAC Name: (2S)-6,8-dimethyl-4-oxo-2,3-dihydro-1H-quinolin-1-ium-2-carboxylate Traditional Name: (2S)-4-keto-6,8-dimethyl-2,3-dihydro-1H-quinolin-1-ium-2-carboxylate Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)CC([NH2+]2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C[C@H]([NH2+]2)C(=O)[O-])C

InChI

InChI=1S/C12H13NO3/c1-6-3-7(2)11-8(4-6)10(14)5-9(13-11)12(15)16/h3-4,9,13H,5H2,1-2H3,(H,15,16)/t9-/m0/s1