[(1S)-2-azaniumyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(trifluoromethylthio)phenyl]ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(trifluoromethylthio)phenyl]ethyl]-butyl-methyl-ammonium Formula: C14H23F3N2S+2 MolecularWeight: 308.40603

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C[NH3+])C1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C14H21F3N2S/c1-3-4-9-19(2)13(10-18)11-5-7-12(8-6-11)20-14(15,16)17/h5-8,13H,3-4,9-10,18H2,1-2H3/p+2/t13-/m1/s1