6-(hydroxymethyl)-4-oxidanylidene-2-(thiomorpholin-4-ium-4-ylmethyl)pyran-3-olate

Systemtic Name: 6-(hydroxymethyl)-4-oxidanylidene-2-(thiomorpholin-4-ium-4-ylmethyl)pyran-3-olate Openeye Name: 6-(hydroxymethyl)-4-oxo-2-(thiomorpholin-4-ium-4-ylmethyl)pyran-3-olate CAS Name: 6-(hydroxymethyl)-4-oxo-2-(4-thiomorpholin-4-iumylmethyl)-3-pyranolate IUPAC Name: 6-(hydroxymethyl)-4-oxo-2-(thiomorpholin-4-ium-4-ylmethyl)pyran-3-olate Traditional Name: 4-keto-6-methylol-2-(thiomorpholin-4-ium-4-ylmethyl)pyran-3-olate Formula: C11H15NO4S MolecularWeight: 257.3061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=C(C(=O)C=C(O2)CO)[O-]

Isomeric SMILES

C1CSCC[NH+]1CC2=C(C(=O)C=C(O2)CO)[O-]

InChI

InChI=1S/C11H15NO4S/c13-7-8-5-9(14)11(15)10(16-8)6-12-1-3-17-4-2-12/h5,13,15H,1-4,6-7H2