3-(2-methylpropoxy)propyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium

Systemtic Name: 3-(2-methylpropoxy)propyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Openeye Name: 3-isobutoxypropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ammonium CAS Name: 3-(2-methylpropoxy)propyl-[[4-(trifluoromethylthio)phenyl]methyl]ammonium IUPAC Name: 3-(2-methylpropoxy)propyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Traditional Name: 3-isobutoxypropyl-[4-(trifluoromethylthio)benzyl]ammonium Formula: C15H23F3NOS+ MolecularWeight: 322.40943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22F3NOS/c1-12(2)11-20-9-3-8-19-10-13-4-6-14(7-5-13)21-15(16,17)18/h4-7,12,19H,3,8-11H2,1-2H3/p+1