[(2R)-4-ethoxy-4-oxidanylidene-2-(3-sulfanylpropanoyloxy)butyl]-trimethyl-azanium chloride

Systemtic Name: [(2R)-4-ethoxy-4-oxidanylidene-2-(3-sulfanylpropanoyloxy)butyl]-trimethyl-azanium chloride Openeye Name: [(2R)-4-ethoxy-4-oxo-2-(3-sulfanylpropanoyloxy)butyl]-trimethyl-ammonium chloride CAS Name: [(2R)-4-ethoxy-2-(3-mercapto-1-oxopropoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [(2R)-4-ethoxy-4-oxo-2-(3-sulfanylpropanoyloxy)butyl]-trimethylazanium chloride Traditional Name: [(2R)-4-ethoxy-4-keto-2-(3-mercaptopropanoyloxy)butyl]-trimethyl-ammonium chloride Formula: C12H24ClNO4S MolecularWeight: 313.84126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCS.[Cl-]

InChI

InChI=1S/C12H23NO4S.ClH/c1-5-16-12(15)8-10(9-13(2,3)4)17-11(14)6-7-18;/h10H,5-9H2,1-4H3;1H/t10-;/m1./s1