2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one

Systemtic Name: 2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one Openeye Name: 3-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-(hydroxymethyl)pyran-4-one CAS Name: 3-hydroxy-2-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-6-(hydroxymethyl)-4-pyranone IUPAC Name: 3-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-(hydroxymethyl)pyran-4-one Traditional Name: 3-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methylol-pyran-4-one Formula: C13H21N2O5+ MolecularWeight: 285.31624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C(=O)C=C(O2)CO)O)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C(=O)C=C(O2)CO)O)CCO

InChI

InChI=1S/C13H20N2O5/c16-6-5-14-1-3-15(4-2-14)8-12-13(19)11(18)7-10(9-17)20-12/h7,16-17,19H,1-6,8-9H2/p+1