[(2S)-2-ethylhexyl]-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[[4-(trifluoromethylthio)phenyl]methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[4-(trifluoromethylthio)benzyl]ammonium Formula: C16H25F3NS+ MolecularWeight: 320.43661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C16H24F3NS/c1-3-5-6-13(4-2)11-20-12-14-7-9-15(10-8-14)21-16(17,18)19/h7-10,13,20H,3-6,11-12H2,1-2H3/p+1/t13-/m0/s1