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

Systemtic Name: (3R)-3-(4,5-dimethyl-2-oxidanyl-phenyl)-3-(trifluoromethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-(2-hydroxy-4,5-dimethyl-phenyl)-3-(trifluoromethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-(2-hydroxy-4,5-dimethylphenyl)-3-(trifluoromethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-(2-hydroxy-4,5-dimethylphenyl)-3-(trifluoromethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-hydroxy-4,5-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=C(C=C(C(=C1)C2(C(=O)NCC[NH2+]2)C(F)(F)F)O)C

Isomeric SMILES

CC1=C(C=C(C(=C1)[C@@]2(C(=O)NCC[NH2+]2)C(F)(F)F)O)C

InChI

InChI=1S/C13H15F3N2O2/c1-7-5-9(10(19)6-8(7)2)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