(3R)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-3-(trifluoromethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-3-(trifluoromethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-(4-hydroxy-3,5-dimethyl-phenyl)-3-(trifluoromethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-(4-hydroxy-3,5-dimethylphenyl)-3-(trifluoromethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-(4-hydroxy-3,5-dimethylphenyl)-3-(trifluoromethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-(4-hydroxy-3,5-dimethyl-phenyl)-3-(trifluoromethyl)piperazin-4-ium-2-one Formula: C13H16F3N2O2+ MolecularWeight: 289.27355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2(C(=O)NCC[NH2+]2)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[C@@]2(C(=O)NCC[NH2+]2)C(F)(F)F

InChI

InChI=1S/C13H15F3N2O2/c1-7-5-9(6-8(2)10(7)19)12(13(14,15)16)11(20)17-3-4-18-12/h5-6,18-19H,3-4H2,1-2H3,(H,17,20)/p+1/t12-/m1/s1