ethyl (3R)-1-[(1S)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(1S)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O3/c1-2-28-22(27)17-9-6-14-25(15-17)20(16-7-4-3-5-8-16)21(26)24-19-12-10-18(23)11-13-19/h3-5,7-8,10-13,17,20H,2,6,9,14-15H2,1H3,(H,24,26)/p+1/t17-,20+/m1/s1