trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-(2-sulfanylethanoyloxy)butyl]azanium chloride

Systemtic Name: trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-(2-sulfanylethanoyloxy)butyl]azanium chloride Openeye Name: [(2R)-4-hydroxy-4-oxo-2-(2-sulfanylacetyl)oxy-butyl]-trimethyl-ammonium chloride CAS Name: [(2R)-4-hydroxy-2-(2-mercapto-1-oxoethoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [(2R)-4-hydroxy-4-oxo-2-(2-sulfanylacetyl)oxybutyl]-trimethylazanium chloride Traditional Name: [(2R)-4-hydroxy-4-keto-2-(2-mercaptoacetyl)oxy-butyl]-trimethyl-ammonium chloride Formula: C9H18ClNO4S MolecularWeight: 271.76152

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OC(=O)CS.[Cl-]

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CS.[Cl-]

InChI

InChI=1S/C9H17NO4S.ClH/c1-10(2,3)5-7(4-8(11)12)14-9(13)6-15;/h7H,4-6H2,1-3H3,(H-,11,12,15);1H/t7-;/m1./s1