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

Systemtic Name: 2-[2-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylethyl-dimethyl-azaniumyl]ethanoate Openeye Name: 2-[2-(3-amino-4-hydroxy-4-oxo-butyl)sulfanylethyl-dimethyl-ammonio]acetate CAS Name: 2-[2-[(3-amino-4-hydroxy-4-oxobutyl)thio]ethyl-dimethylammonio]acetate IUPAC Name: 2-[2-(3-amino-4-hydroxy-4-oxobutyl)sulfanylethyl-dimethylazaniumyl]acetate Traditional Name: 2-[2-[(3-amino-4-hydroxy-4-keto-butyl)thio]ethyl-dimethyl-ammonio]acetate Formula: C10H20N2O4S MolecularWeight: 264.3418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20N2O4S/c1-12(2,7-9(13)14)4-6-17-5-3-8(11)10(15)16/h8H,3-7,11H2,1-2H3,(H-,13,14,15,16)