[(2S)-3-(3-ethanoyl-4-oxidanyl-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [(2S)-3-(3-ethanoyl-4-oxidanyl-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-1-[(3-acetyl-4-hydroxy-phenyl)methyl]-2-hydroxy-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-3-(3-acetyl-4-hydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2S)-3-(3-acetyl-4-hydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1S)-1-(3-acetyl-4-hydroxy-benzyl)-2-hydroxy-2-keto-ethyl]ammonium chloride Formula: C11H14ClNO4 MolecularWeight: 259.68616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CC(C(=O)O)[NH3+])O.[Cl-]

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)C[C@@H](C(=O)O)[NH3+])O.[Cl-]

InChI

InChI=1S/C11H13NO4.ClH/c1-6(13)8-4-7(2-3-10(8)14)5-9(12)11(15)16;/h2-4,9,14H,5,12H2,1H3,(H,15,16);1H/t9-;/m0./s1