[2,6-dimethyl-4-[(2S)-3-oxidanylidene-2-(trifluoromethyl)piperazin-1-ium-2-yl]phenyl] ethanoate

Systemtic Name: [2,6-dimethyl-4-[(2S)-3-oxidanylidene-2-(trifluoromethyl)piperazin-1-ium-2-yl]phenyl] ethanoate Openeye Name: [2,6-dimethyl-4-[(2S)-3-oxo-2-(trifluoromethyl)piperazin-1-ium-2-yl]phenyl] acetate CAS Name: acetic acid [2,6-dimethyl-4-[(2S)-3-oxo-2-(trifluoromethyl)-2-piperazin-1-iumyl]phenyl] ester IUPAC Name: [2,6-dimethyl-4-[(2S)-3-oxo-2-(trifluoromethyl)piperazin-1-ium-2-yl]phenyl] acetate Traditional Name: acetic acid [4-[(2S)-3-keto-2-(trifluoromethyl)piperazin-1-ium-2-yl]-2,6-dimethyl-phenyl] ester Formula: C15H18F3N2O3+ MolecularWeight: 331.31023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C)C)C2(C(=O)NCC[NH2+]2)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C)C)[C@]2(C(=O)NCC[NH2+]2)C(F)(F)F

InChI

InChI=1S/C15H17F3N2O3/c1-8-6-11(7-9(2)12(8)23-10(3)21)14(15(16,17)18)13(22)19-4-5-20-14/h6-7,20H,4-5H2,1-3H3,(H,19,22)/p+1/t14-/m0/s1