trimethyl-[(1S,2S)-1-(4-methylsulfanylphenyl)-1,3-bis(oxidanyl)propan-2-yl]azanium

Systemtic Name: trimethyl-[(1S,2S)-1-(4-methylsulfanylphenyl)-1,3-bis(oxidanyl)propan-2-yl]azanium Openeye Name: [(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-methylsulfanylphenyl)ethyl]-trimethyl-ammonium CAS Name: [(1S,2S)-1,3-dihydroxy-1-[4-(methylthio)phenyl]propan-2-yl]-trimethylammonium IUPAC Name: [(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]-trimethylazanium Traditional Name: [(1S,2S)-2-hydroxy-1-methylol-2-[4-(methylthio)phenyl]ethyl]-trimethyl-ammonium Formula: C13H22NO2S+ MolecularWeight: 256.38428

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CO)C(C1=CC=C(C=C1)SC)O

Isomeric SMILES

C[N+](C)(C)[C@@H](CO)[C@H](C1=CC=C(C=C1)SC)O

InChI

InChI=1S/C13H22NO2S/c1-14(2,3)12(9-15)13(16)10-5-7-11(17-4)8-6-10/h5-8,12-13,15-16H,9H2,1-4H3/q+1/t12-,13-/m0/s1