pentyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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