ethyl 4-[3-oxidanylidene-3-[[4-(trifluoromethyloxy)phenyl]amino]propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[3-oxidanylidene-3-[[4-(trifluoromethyloxy)phenyl]amino]propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-keto-3-[4-(trifluoromethoxy)anilino]propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H23F3N3O4+ MolecularWeight: 390.37743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3N3O4/c1-2-26-16(25)23-11-9-22(10-12-23)8-7-15(24)21-13-3-5-14(6-4-13)27-17(18,19)20/h3-6H,2,7-12H2,1H3,(H,21,24)/p+1