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

Systemtic Name: 6-(hydroxymethyl)-4-oxidanylidene-2-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]pyran-3-olate Openeye Name: 2-[(4-benzyloxypiperidin-1-ium-1-yl)methyl]-6-(hydroxymethyl)-4-oxo-pyran-3-olate CAS Name: 6-(hydroxymethyl)-4-oxo-2-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-3-pyranolate IUPAC Name: 6-(hydroxymethyl)-4-oxo-2-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]pyran-3-olate Traditional Name: 2-[(4-benzoxypiperidin-1-ium-1-yl)methyl]-4-keto-6-methylol-pyran-3-olate Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=C(C(=O)C=C(O3)CO)[O-]

Isomeric SMILES

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=C(C(=O)C=C(O3)CO)[O-]

InChI

InChI=1S/C19H23NO5/c21-12-16-10-17(22)19(23)18(25-16)11-20-8-6-15(7-9-20)24-13-14-4-2-1-3-5-14/h1-5,10,15,21,23H,6-9,11-13H2