ethyl (3S)-1-[[7-fluoranyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)quinolin-3-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[7-fluoranyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)quinolin-3-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[7-fluoro-2-oxo-1-(4-pyridylmethyl)-3-quinolyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[7-fluoro-2-oxo-1-(pyridin-4-ylmethyl)-3-quinolinyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[7-fluoro-2-oxo-1-(pyridin-4-ylmethyl)quinolin-3-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[7-fluoro-2-keto-1-(4-pyridylmethyl)-3-quinolyl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H27FN3O3+ MolecularWeight: 424.487883

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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)CC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC3=C(C=C(C=C3)F)N(C2=O)CC4=CC=NC=C4

InChI

InChI=1S/C24H26FN3O3/c1-2-31-24(30)19-4-3-11-27(15-19)16-20-12-18-5-6-21(25)13-22(18)28(23(20)29)14-17-7-9-26-10-8-17/h5-10,12-13,19H,2-4,11,14-16H2,1H3/p+1/t19-/m0/s1