[1-methoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]azanium bromide

Systemtic Name: [1-methoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]azanium bromide Openeye Name: [1-(benzylsulfanylmethyl)-2-methoxy-2-oxo-ethyl]ammonium bromide CAS Name: [1-methoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]ammonium bromide IUPAC Name: (3-benzylsulfanyl-1-methoxy-1-oxopropan-2-yl)azanium bromide Traditional Name: [1-[(benzylthio)methyl]-2-keto-2-methoxy-ethyl]ammonium bromide Formula: C11H16BrNO2S MolecularWeight: 306.21924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)[NH3+].[Br-]

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)[NH3+].[Br-]

InChI

InChI=1S/C11H15NO2S.BrH/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H