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

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H22F3N2O3+ MolecularWeight: 359.36339

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H21F3N2O3/c1-2-25-16(24)12-6-8-22(9-7-12)11-15(23)21-14-5-3-4-13(10-14)17(18,19)20/h3-5,10,12H,2,6-9,11H2,1H3,(H,21,23)/p+1