methyl 1-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H24FN2O3+ MolecularWeight: 371.425263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O3/c1-27-21(26)16-11-13-24(14-12-16)19(15-5-3-2-4-6-15)20(25)23-18-9-7-17(22)8-10-18/h2-10,16,19H,11-14H2,1H3,(H,23,25)/p+1/t19-/m1/s1