3-oxidanylidene-2-[1-propan-2-yloxy-2-(trimethylazaniumyl)ethyl]-4-sulfanyl-butanoate

Systemtic Name: 3-oxidanylidene-2-[1-propan-2-yloxy-2-(trimethylazaniumyl)ethyl]-4-sulfanyl-butanoate Openeye Name: 2-[1-isopropoxy-2-(trimethylammonio)ethyl]-3-oxo-4-sulfanyl-butanoate CAS Name: 2-(2-mercapto-1-oxoethyl)-3-propan-2-yloxy-4-(trimethylammonio)butanoate IUPAC Name: 3-oxo-2-[1-propan-2-yloxy-2-(trimethylazaniumyl)ethyl]-4-sulfanylbutanoate Traditional Name: 2-[1-isopropoxy-2-(trimethylammonio)ethyl]-3-keto-4-mercapto-butyrate Formula: C12H23NO4S MolecularWeight: 277.38032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO4S/c1-8(2)17-10(6-13(3,4)5)11(12(15)16)9(14)7-18/h8,10-11H,6-7H2,1-5H3,(H-,15,16,18)