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

Systemtic Name: ethyl 4-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3-hydroxy-4-keto-6-methylol-pyran-2-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H21N2O6+ MolecularWeight: 313.32634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C14H20N2O6/c1-2-21-14(20)16-5-3-15(4-6-16)8-12-13(19)11(18)7-10(9-17)22-12/h7,17,19H,2-6,8-9H2,1H3/p+1