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

Systemtic Name: 2-[3-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylpropyl-dimethyl-azaniumyl]ethanoate Openeye Name: 2-[3-(3-amino-4-hydroxy-4-oxo-butyl)sulfanylpropyl-dimethyl-ammonio]acetate CAS Name: 2-[3-[(3-amino-4-hydroxy-4-oxobutyl)thio]propyl-dimethylammonio]acetate IUPAC Name: 2-[3-(3-amino-4-hydroxy-4-oxobutyl)sulfanylpropyl-dimethylazaniumyl]acetate Traditional Name: 2-[3-[(3-amino-4-hydroxy-4-keto-butyl)thio]propyl-dimethyl-ammonio]acetate Formula: C11H22N2O4S MolecularWeight: 278.36838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22N2O4S/c1-13(2,8-10(14)15)5-3-6-18-7-4-9(12)11(16)17/h9H,3-8,12H2,1-2H3,(H-,14,15,16,17)