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

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(trifluoromethylthio)phenyl]ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(trifluoromethylthio)phenyl]ethyl]-butyl-ethyl-ammonium Formula: C15H25F3N2S+2 MolecularWeight: 322.43261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23F3N2S/c1-3-5-10-20(4-2)14(11-19)12-6-8-13(9-7-12)21-15(16,17)18/h6-9,14H,3-5,10-11,19H2,1-2H3/p+2/t14-/m1/s1