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

Systemtic Name: ethyl (3S)-1-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(3-hydroxy-4-keto-6-methylol-pyran-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H22NO6+ MolecularWeight: 312.33828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C15H21NO6/c1-2-21-15(20)10-4-3-5-16(7-10)8-13-14(19)12(18)6-11(9-17)22-13/h6,10,17,19H,2-5,7-9H2,1H3/p+1/t10-/m0/s1