(2S)-1-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: (2S)-1-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methyl]-2-piperidin-1-iumcarboxylate IUPAC Name: (2S)-1-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[(3-hydroxy-4-keto-6-methylol-pyran-2-yl)methyl]piperidin-1-ium-2-carboxylate Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)[O-])CC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C(=O)[O-])CC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C13H17NO6/c15-7-8-5-10(16)12(17)11(20-8)6-14-4-2-1-3-9(14)13(18)19/h5,9,15,17H,1-4,6-7H2,(H,18,19)/t9-/m0/s1