1-[(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylate Formula: C15H18FNO3 MolecularWeight: 279.306723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)F)[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)F)[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C15H18FNO3/c1-10(14(18)11-2-4-13(16)5-3-11)17-8-6-12(7-9-17)15(19)20/h2-5,10,12H,6-9H2,1H3,(H,19,20)/t10-/m0/s1