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

Systemtic Name: trimethyl-[(2R)-4-oxidanylidene-4-propan-2-yloxy-2-(2-sulfanylethanoyloxy)butyl]azanium chloride Openeye Name: [(2R)-4-isopropoxy-4-oxo-2-(2-sulfanylacetyl)oxy-butyl]-trimethyl-ammonium chloride CAS Name: [(2R)-2-(2-mercapto-1-oxoethoxy)-4-oxo-4-propan-2-yloxybutyl]-trimethylammonium chloride IUPAC Name: trimethyl-[(2R)-4-oxo-4-propan-2-yloxy-2-(2-sulfanylacetyl)oxybutyl]azanium chloride Traditional Name: [(2R)-4-isopropoxy-4-keto-2-(2-mercaptoacetyl)oxy-butyl]-trimethyl-ammonium chloride Formula: C12H24ClNO4S MolecularWeight: 313.84126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO4S.ClH/c1-9(2)16-11(14)6-10(7-13(3,4)5)17-12(15)8-18;/h9-10H,6-8H2,1-5H3;1H/t10-;/m1./s1