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

Systemtic Name: ethyl (3S)-1-[[7-fluoranyl-1-(2-methoxyethyl)-2-oxidanylidene-quinolin-3-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[7-fluoro-1-(2-methoxyethyl)-2-oxo-3-quinolyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[7-fluoro-1-(2-methoxyethyl)-2-oxo-3-quinolinyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[7-fluoro-1-(2-methoxyethyl)-2-oxoquinolin-3-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[7-fluoro-2-keto-1-(2-methoxyethyl)-3-quinolyl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H28FN2O4+ MolecularWeight: 391.456423

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O4/c1-3-28-21(26)16-5-4-8-23(13-16)14-17-11-15-6-7-18(22)12-19(15)24(20(17)25)9-10-27-2/h6-7,11-12,16H,3-5,8-10,13-14H2,1-2H3/p+1/t16-/m0/s1