ethyl 4-[(2R)-1-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H22ClF3N3O3+ MolecularWeight: 408.82309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C17H21ClF3N3O3/c1-3-27-16(26)24-8-6-23(7-9-24)11(2)15(25)22-14-5-4-12(18)10-13(14)17(19,20)21/h4-5,10-11H,3,6-9H2,1-2H3,(H,22,25)/p+1/t11-/m1/s1