(2-methyl-1-oxidanyl-propan-2-yl)-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium

Systemtic Name: (2-methyl-1-oxidanyl-propan-2-yl)-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Openeye Name: (2-hydroxy-1,1-dimethyl-ethyl)-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ammonium CAS Name: (1-hydroxy-2-methylpropan-2-yl)-[[4-(trifluoromethylthio)phenyl]methyl]ammonium IUPAC Name: (1-hydroxy-2-methylpropan-2-yl)-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Traditional Name: (2-hydroxy-1,1-dimethyl-ethyl)-[4-(trifluoromethylthio)benzyl]ammonium Formula: C12H17F3NOS+ MolecularWeight: 280.32969

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH2+]CC1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

CC(C)(CO)[NH2+]CC1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C12H16F3NOS/c1-11(2,8-17)16-7-9-3-5-10(6-4-9)18-12(13,14)15/h3-6,16-17H,7-8H2,1-2H3/p+1