3-propan-2-yloxypropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium

Systemtic Name: 3-propan-2-yloxypropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Openeye Name: 3-isopropoxypropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ammonium CAS Name: 3-propan-2-yloxypropyl-[[4-(trifluoromethylthio)phenyl]methyl]ammonium IUPAC Name: 3-propan-2-yloxypropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Traditional Name: 3-isopropoxypropyl-[4-(trifluoromethylthio)benzyl]ammonium Formula: C14H21F3NOS+ MolecularWeight: 308.38285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20F3NOS/c1-11(2)19-9-3-8-18-10-12-4-6-13(7-5-12)20-14(15,16)17/h4-7,11,18H,3,8-10H2,1-2H3/p+1