4,5-dimethyl-3-oxidanyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-3-ium chloride

Systemtic Name: 4,5-dimethyl-3-oxidanyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-3-ium chloride Openeye Name: 3-hydroxy-4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]oxazol-3-ium chloride CAS Name: 3-hydroxy-4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]oxazol-3-ium chloride IUPAC Name: 3-hydroxy-4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-3-ium chloride Traditional Name: 3-hydroxy-4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]oxazol-3-ium chloride Formula: C12H11ClF3NO2 MolecularWeight: 293.66945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=[N+]1O)C2=CC=C(C=C2)C(F)(F)F)C.[Cl-]

Isomeric SMILES

CC1=C(OC(=[N+]1O)C2=CC=C(C=C2)C(F)(F)F)C.[Cl-]

InChI

InChI=1S/C12H11F3NO2.ClH/c1-7-8(2)18-11(16(7)17)9-3-5-10(6-4-9)12(13,14)15;/h3-6,17H,1-2H3;1H/q+1;/p-1