2-[(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylmethyl-dimethyl-azaniumyl]ethanoate

Systemtic Name: 2-[(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylmethyl-dimethyl-azaniumyl]ethanoate Openeye Name: 2-[(3-amino-4-hydroxy-4-oxo-butyl)sulfanylmethyl-dimethyl-ammonio]acetate CAS Name: 2-[[(3-amino-4-hydroxy-4-oxobutyl)thio]methyl-dimethylammonio]acetate IUPAC Name: 2-[(3-amino-4-hydroxy-4-oxobutyl)sulfanylmethyl-dimethylazaniumyl]acetate Traditional Name: 2-[[(3-amino-4-hydroxy-4-keto-butyl)thio]methyl-dimethyl-ammonio]acetate Formula: C9H18N2O4S MolecularWeight: 250.31522

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(=O)[O-])CSCCC(C(=O)O)N

Isomeric SMILES

C[N+](C)(CC(=O)[O-])CSCCC(C(=O)O)N

InChI

InChI=1S/C9H18N2O4S/c1-11(2,5-8(12)13)6-16-4-3-7(10)9(14)15/h7H,3-6,10H2,1-2H3,(H-,12,13,14,15)