3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]-4-sulfanyl-butanoate hydrochloride

Systemtic Name: 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]-4-sulfanyl-butanoate hydrochloride Openeye Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-4-sulfanyl-butanoate hydrochloride CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-4-mercapto-3-oxobutanoate hydrochloride IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxo-4-sulfanylbutanoate hydrochloride Traditional Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-4-mercapto-butyrate hydrochloride Formula: C9H18ClNO4S MolecularWeight: 271.76152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO4S.ClH/c1-10(2,3)4-6(11)8(9(13)14)7(12)5-15;/h6,8,11H,4-5H2,1-3H3,(H-,13,14,15);1H