[3-carboxy-2-(2-methylpropoxy)-4-oxidanylidene-5-sulfanyl-hexyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-2-(2-methylpropoxy)-4-oxidanylidene-5-sulfanyl-hexyl]-trimethyl-azanium Openeye Name: (3-carboxy-2-isobutoxy-4-oxo-5-sulfanyl-hexyl)-trimethyl-ammonium CAS Name: [3-carboxy-5-mercapto-2-(2-methylpropoxy)-4-oxohexyl]-trimethylammonium IUPAC Name: [3-carboxy-2-(2-methylpropoxy)-4-oxo-5-sulfanylhexyl]-trimethylazanium Traditional Name: (3-carboxy-2-isobutoxy-4-keto-5-mercapto-hexyl)-trimethyl-ammonium Formula: C14H28NO4S+ MolecularWeight: 306.44142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(C[N+](C)(C)C)C(C(=O)C(C)S)C(=O)O

Isomeric SMILES

CC(C)COC(C[N+](C)(C)C)C(C(=O)C(C)S)C(=O)O

InChI

InChI=1S/C14H27NO4S/c1-9(2)8-19-11(7-15(4,5)6)12(14(17)18)13(16)10(3)20/h9-12H,7-8H2,1-6H3,(H-,17,18,20)/p+1