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

Systemtic Name: 6-(hydroxymethyl)-4-oxidanylidene-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]pyran-3-olate Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-(hydroxymethyl)-4-oxo-pyran-3-olate CAS Name: 6-(hydroxymethyl)-4-oxo-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3-pyranolate IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-(hydroxymethyl)-4-oxopyran-3-olate Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-keto-6-methylol-pyran-3-olate Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C(=O)C=C(O3)CO)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C(=O)C=C(O3)CO)[O-]

InChI

InChI=1S/C19H23NO4/c21-13-16-11-17(22)19(23)18(24-16)12-20-8-6-15(7-9-20)10-14-4-2-1-3-5-14/h1-5,11,15,21,23H,6-10,12-13H2