2-[1-ethoxy-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-5-sulfanyl-pentanoate

Systemtic Name: 2-[1-ethoxy-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-5-sulfanyl-pentanoate Openeye Name: 2-[1-ethoxy-2-(trimethylammonio)ethyl]-3-oxo-5-sulfanyl-pentanoate CAS Name: 2-[1-ethoxy-2-(trimethylammonio)ethyl]-5-mercapto-3-oxopentanoate IUPAC Name: 2-[1-ethoxy-2-(trimethylazaniumyl)ethyl]-3-oxo-5-sulfanylpentanoate Traditional Name: 2-[1-ethoxy-2-(trimethylammonio)ethyl]-3-keto-5-mercapto-valerate Formula: C12H23NO4S MolecularWeight: 277.38032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C[N+](C)(C)C)C(C(=O)CCS)C(=O)[O-]

Isomeric SMILES

CCOC(C[N+](C)(C)C)C(C(=O)CCS)C(=O)[O-]

InChI

InChI=1S/C12H23NO4S/c1-5-17-10(8-13(2,3)4)11(12(15)16)9(14)6-7-18/h10-11H,5-8H2,1-4H3,(H-,15,16,18)