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

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-(2-sulfanylbutanoyloxy)butyl]azanium chloride Openeye Name: [4-hydroxy-4-oxo-2-(2-sulfanylbutanoyloxy)butyl]-trimethyl-ammonium chloride CAS Name: [4-hydroxy-2-(2-mercapto-1-oxobutoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [4-hydroxy-4-oxo-2-(2-sulfanylbutanoyloxy)butyl]-trimethylazanium chloride Traditional Name: [4-hydroxy-4-keto-2-(2-mercaptobutanoyloxy)butyl]-trimethyl-ammonium chloride Formula: C11H22ClNO4S MolecularWeight: 299.81468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO4S.ClH/c1-5-9(17)11(15)16-8(6-10(13)14)7-12(2,3)4;/h8-9H,5-7H2,1-4H3,(H-,13,14,17);1H