ethyl 4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H24F3N2O2+ MolecularWeight: 345.37987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H23F3N2O2/c1-3-24-16(23)22-9-7-21(8-10-22)13(2)11-14-5-4-6-15(12-14)17(18,19)20/h4-6,12-13H,3,7-11H2,1-2H3/p+1/t13-/m1/s1