[(2S)-5-methylhexan-2-yl]-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[[4-(trifluoromethylthio)phenyl]methyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[4-(trifluoromethylthio)benzyl]ammonium Formula: C15H23F3NS+ MolecularWeight: 306.41003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22F3NS/c1-11(2)4-5-12(3)19-10-13-6-8-14(9-7-13)20-15(16,17)18/h6-9,11-12,19H,4-5,10H2,1-3H3/p+1/t12-/m0/s1