2-methylbutan-2-yl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium

Systemtic Name: 2-methylbutan-2-yl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Openeye Name: 1,1-dimethylpropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ammonium CAS Name: 2-methylbutan-2-yl-[[4-(trifluoromethylthio)phenyl]methyl]ammonium IUPAC Name: 2-methylbutan-2-yl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Traditional Name: tert-amyl-[4-(trifluoromethylthio)benzyl]ammonium Formula: C13H19F3NS+ MolecularWeight: 278.35687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18F3NS/c1-4-12(2,3)17-9-10-5-7-11(8-6-10)18-13(14,15)16/h5-8,17H,4,9H2,1-3H3/p+1