(3-carboxy-4-oxidanylidene-2-propan-2-yloxy-5-sulfanyl-pentyl)-trimethyl-azanium

Systemtic Name: (3-carboxy-4-oxidanylidene-2-propan-2-yloxy-5-sulfanyl-pentyl)-trimethyl-azanium Openeye Name: (3-carboxy-2-isopropoxy-4-oxo-5-sulfanyl-pentyl)-trimethyl-ammonium CAS Name: (3-carboxy-5-mercapto-4-oxo-2-propan-2-yloxypentyl)-trimethylammonium IUPAC Name: (3-carboxy-4-oxo-2-propan-2-yloxy-5-sulfanylpentyl)-trimethylazanium Traditional Name: (3-carboxy-2-isopropoxy-4-keto-5-mercapto-pentyl)-trimethyl-ammonium Formula: C12H24NO4S+ MolecularWeight: 278.38826

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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)/p+1