[(1R,2S)-1-(2,4-dimethylphenyl)-3-methoxy-1-oxidanyl-3-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [(1R,2S)-1-(2,4-dimethylphenyl)-3-methoxy-1-oxidanyl-3-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-1-[(R)-(2,4-dimethylphenyl)-hydroxy-methyl]-2-methoxy-2-oxo-ethyl]ammonium chloride CAS Name: [(1R,2S)-1-(2,4-dimethylphenyl)-1-hydroxy-3-methoxy-3-oxopropan-2-yl]ammonium chloride IUPAC Name: [(1R,2S)-1-(2,4-dimethylphenyl)-1-hydroxy-3-methoxy-3-oxopropan-2-yl]azanium chloride Traditional Name: [(1S,2R)-1-carbomethoxy-2-(2,4-dimethylphenyl)-2-hydroxy-ethyl]ammonium chloride Formula: C12H18ClNO3 MolecularWeight: 259.72922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C(C(=O)OC)[NH3+])O)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H]([C@@H](C(=O)OC)[NH3+])O)C.[Cl-]

InChI

InChI=1S/C12H17NO3.ClH/c1-7-4-5-9(8(2)6-7)11(14)10(13)12(15)16-3;/h4-6,10-11,14H,13H2,1-3H3;1H/t10-,11+;/m0./s1