6-(hydroxymethyl)-3-oxidanyl-2-(piperidin-1-ium-1-ylmethyl)pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-(piperidin-1-ium-1-ylmethyl)pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-(1-piperidin-1-iumylmethyl)-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ium-1-ylmethyl)pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-(piperidin-1-ium-1-ylmethyl)pyran-4-one Formula: C12H18NO4+ MolecularWeight: 240.27562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C12H17NO4/c14-8-9-6-10(15)12(16)11(17-9)7-13-4-2-1-3-5-13/h6,14,16H,1-5,7-8H2/p+1