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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H21F3N3O3+ MolecularWeight: 360.35145

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H20F3N3O3/c1-2-25-15(24)22-8-6-21(7-9-22)11-14(23)20-13-5-3-4-12(10-13)16(17,18)19/h3-5,10H,2,6-9,11H2,1H3,(H,20,23)/p+1