ethyl 1-[2-oxidanylidene-2-[[2-(trifluoromethyloxy)phenyl]methylamino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[[2-(trifluoromethyloxy)phenyl]methylamino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[2-(trifluoromethoxy)benzyl]amino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H24F3N2O4+ MolecularWeight: 389.38937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2OC(F)(F)F

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2OC(F)(F)F

InChI

InChI=1S/C18H23F3N2O4/c1-2-26-17(25)13-7-9-23(10-8-13)12-16(24)22-11-14-5-3-4-6-15(14)27-18(19,20)21/h3-6,13H,2,7-12H2,1H3,(H,22,24)/p+1