6-(hydroxymethyl)-3-oxidanyl-2-(pyrrolidin-1-ylmethyl)pyran-4-one hydrochloride

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-(pyrrolidin-1-ylmethyl)pyran-4-one hydrochloride Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyran-4-one hydrochloride CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-(1-pyrrolidinylmethyl)-4-pyranone hydrochloride IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyran-4-one hydrochloride Traditional Name: 3-hydroxy-6-methylol-2-(pyrrolidinomethyl)pyran-4-one hydrochloride Formula: C11H16ClNO4 MolecularWeight: 261.70204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C(=O)C=C(O2)CO)O.Cl

Isomeric SMILES

C1CCN(C1)CC2=C(C(=O)C=C(O2)CO)O.Cl

InChI

InChI=1S/C11H15NO4.ClH/c13-7-8-5-9(14)11(15)10(16-8)6-12-3-1-2-4-12;/h5,13,15H,1-4,6-7H2;1H