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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C15H21NO6/c1-2-21-15(20)10-3-5-16(6-4-10)8-13-14(19)12(18)7-11(9-17)22-13/h7,10,17,19H,2-6,8-9H2,1H3/p+1