3-methylbutyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium

Systemtic Name: 3-methylbutyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Openeye Name: isopentyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ammonium CAS Name: 3-methylbutyl-[[4-(trifluoromethylthio)phenyl]methyl]ammonium IUPAC Name: 3-methylbutyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Traditional Name: isoamyl-[4-(trifluoromethylthio)benzyl]ammonium Formula: C13H19F3NS+ MolecularWeight: 278.35687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18F3NS/c1-10(2)7-8-17-9-11-3-5-12(6-4-11)18-13(14,15)16/h3-6,10,17H,7-9H2,1-2H3/p+1