2-[[1,3-dioxolan-2-ylmethyl(methyl)azaniumyl]methyl]-6-(hydroxymethyl)-4-oxidanylidene-pyran-3-olate

Systemtic Name: 2-[[1,3-dioxolan-2-ylmethyl(methyl)azaniumyl]methyl]-6-(hydroxymethyl)-4-oxidanylidene-pyran-3-olate Openeye Name: 2-[[1,3-dioxolan-2-ylmethyl(methyl)ammonio]methyl]-6-(hydroxymethyl)-4-oxo-pyran-3-olate CAS Name: 2-[[1,3-dioxolan-2-ylmethyl(methyl)ammonio]methyl]-6-(hydroxymethyl)-4-oxo-3-pyranolate IUPAC Name: 2-[[1,3-dioxolan-2-ylmethyl(methyl)azaniumyl]methyl]-6-(hydroxymethyl)-4-oxopyran-3-olate Traditional Name: 2-[[1,3-dioxolan-2-ylmethyl(methyl)ammonio]methyl]-4-keto-6-methylol-pyran-3-olate Formula: C12H17NO6 MolecularWeight: 271.26648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1OCCO1)CC2=C(C(=O)C=C(O2)CO)[O-]

Isomeric SMILES

C[NH+](CC1OCCO1)CC2=C(C(=O)C=C(O2)CO)[O-]

InChI

InChI=1S/C12H17NO6/c1-13(6-11-17-2-3-18-11)5-10-12(16)9(15)4-8(7-14)19-10/h4,11,14,16H,2-3,5-7H2,1H3