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6-(hydroxymethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-pyran-3-olate

6-(hydroxymethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-pyran-3-olate

Systemtic Name:6-(hydroxymethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-pyran-3-olate
Openeye Name:6-(hydroxymethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-pyran-3-olate
CAS Name:6-(hydroxymethyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-3-pyranolate
IUPAC Name:6-(hydroxymethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxopyran-3-olate
Traditional Name:4-keto-6-methylol-2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyran-3-olate
Formula: C13H19NO4
MolecularWeight: 253.29426
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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)[O-]


Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)[O-]


InChI

InChI=1S/C13H19NO4/c1-9-2-4-14(5-3-9)7-12-13(17)11(16)6-10(8-15)18-12/h6,9,15,17H,2-5,7-8H2,1H3


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