ethyl (3S)-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[2-(2-fluorophenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[2-(2-fluorophenyl)-5-methyl-4-oxazolyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[2-(2-fluorophenyl)-5-methyl-oxazol-4-yl]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=C(OC(=N2)C3=CC=CC=C3F)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(OC(=N2)C3=CC=CC=C3F)C

InChI

InChI=1S/C19H23FN2O3/c1-3-24-19(23)14-7-6-10-22(11-14)12-17-13(2)25-18(21-17)15-8-4-5-9-16(15)20/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3/p+1/t14-/m0/s1