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6-(hydroxymethyl)-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)pyran-3-olate

6-(hydroxymethyl)-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)pyran-3-olate

Systemtic Name:6-(hydroxymethyl)-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)pyran-3-olate
Openeye Name:6-(hydroxymethyl)-4-oxo-2-(piperidin-1-ium-1-ylmethyl)pyran-3-olate
CAS Name:6-(hydroxymethyl)-4-oxo-2-(1-piperidin-1-iumylmethyl)-3-pyranolate
IUPAC Name:6-(hydroxymethyl)-4-oxo-2-(piperidin-1-ium-1-ylmethyl)pyran-3-olate
Traditional Name:4-keto-6-methylol-2-(piperidin-1-ium-1-ylmethyl)pyran-3-olate
Formula: C12H17NO4
MolecularWeight: 239.26768
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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


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