ethyl (3S)-1-[(7-fluoranyl-1-methyl-2-oxidanylidene-quinolin-3-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(7-fluoranyl-1-methyl-2-oxidanylidene-quinolin-3-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(7-fluoro-1-methyl-2-oxo-3-quinolyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(7-fluoro-1-methyl-2-oxo-3-quinolinyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(7-fluoro-1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(7-fluoro-2-keto-1-methyl-3-quinolyl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H24FN2O3+ MolecularWeight: 347.403863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC3=C(C=C(C=C3)F)N(C2=O)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC3=C(C=C(C=C3)F)N(C2=O)C

InChI

InChI=1S/C19H23FN2O3/c1-3-25-19(24)14-5-4-8-22(11-14)12-15-9-13-6-7-16(20)10-17(13)21(2)18(15)23/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3/p+1/t14-/m0/s1