trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-(5-sulfanylpentanoyloxy)butyl]azanium chloride

Systemtic Name: trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-(5-sulfanylpentanoyloxy)butyl]azanium chloride Openeye Name: [(2R)-4-hydroxy-4-oxo-2-(5-sulfanylpentanoyloxy)butyl]-trimethyl-ammonium chloride CAS Name: [(2R)-4-hydroxy-2-(5-mercapto-1-oxopentoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [(2R)-4-hydroxy-4-oxo-2-(5-sulfanylpentanoyloxy)butyl]-trimethylazanium chloride Traditional Name: [(2R)-4-hydroxy-4-keto-2-(5-mercaptopentanoyloxy)butyl]-trimethyl-ammonium chloride Formula: C12H24ClNO4S MolecularWeight: 313.84126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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