dimethyl-octyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: dimethyl-octyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium; tris(fluoranyl)methanesulfonate Openeye Name: [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-dimethyl-octyl-ammonium; trifluoromethanesulfonate CAS Name: [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethyl-octylammonium; trifluoromethanesulfonate IUPAC Name: [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethyl-octylazanium; trifluoromethanesulfonate Traditional Name: [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-dimethyl-octyl-ammonium triflate Formula: C20H34F3NO4S MolecularWeight: 441.54847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)C(C)C(C1=CC=CC=C1)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+](C)(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H34NO.CHF3O3S/c1-5-6-7-8-9-13-16-20(3,4)17(2)19(21)18-14-11-10-12-15-18;2-1(3,4)8(5,6)7/h10-12,14-15,17,19,21H,5-9,13,16H2,1-4H3;(H,5,6,7)/q+1;/p-1/t17-,19-;/m0./s1