(3-carboxy-2-ethoxy-4-oxidanylidene-6-sulfanyl-hexyl)-trimethyl-azanium

Systemtic Name: (3-carboxy-2-ethoxy-4-oxidanylidene-6-sulfanyl-hexyl)-trimethyl-azanium Openeye Name: (3-carboxy-2-ethoxy-4-oxo-6-sulfanyl-hexyl)-trimethyl-ammonium CAS Name: (3-carboxy-2-ethoxy-6-mercapto-4-oxohexyl)-trimethylammonium IUPAC Name: (3-carboxy-2-ethoxy-4-oxo-6-sulfanylhexyl)-trimethylazanium Traditional Name: (3-carboxy-2-ethoxy-4-keto-6-mercapto-hexyl)-trimethyl-ammonium Formula: C12H24NO4S+ MolecularWeight: 278.38826

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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)/p+1