(3R,6R)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-6-methyl-3-(trifluoromethyl)piperazin-4-ium-2-one

Systemtic Name: (3R,6R)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-6-methyl-3-(trifluoromethyl)piperazin-4-ium-2-one Openeye Name: (3R,6R)-3-(4-hydroxy-3,5-dimethyl-phenyl)-6-methyl-3-(trifluoromethyl)piperazin-4-ium-2-one CAS Name: (3R,6R)-3-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3-(trifluoromethyl)-2-piperazin-4-iumone IUPAC Name: (3R,6R)-3-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3-(trifluoromethyl)piperazin-4-ium-2-one Traditional Name: (3R,6R)-3-(4-hydroxy-3,5-dimethyl-phenyl)-6-methyl-3-(trifluoromethyl)piperazin-4-ium-2-one Formula: C14H18F3N2O2+ MolecularWeight: 303.30013

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]C(C(=O)N1)(C2=CC(=C(C(=C2)C)O)C)C(F)(F)F

Isomeric SMILES

C[C@@H]1C[NH2+][C@@](C(=O)N1)(C2=CC(=C(C(=C2)C)O)C)C(F)(F)F

InChI

InChI=1S/C14H17F3N2O2/c1-7-4-10(5-8(2)11(7)20)13(14(15,16)17)12(21)19-9(3)6-18-13/h4-5,9,18,20H,6H2,1-3H3,(H,19,21)/p+1/t9-,13-/m1/s1