[(2S)-6-methylheptan-2-yl]-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[[4-(trifluoromethylthio)phenyl]methyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[4-(trifluoromethylthio)benzyl]ammonium Formula: C16H25F3NS+ MolecularWeight: 320.43661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24F3NS/c1-12(2)5-4-6-13(3)20-11-14-7-9-15(10-8-14)21-16(17,18)19/h7-10,12-13,20H,4-6,11H2,1-3H3/p+1/t13-/m0/s1