2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one

Systemtic Name: 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one Openeye Name: 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 2-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone IUPAC Name: 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-hydroxy-6-methylol-pyran-4-one Formula: C13H22N2O4+2 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C13H20N2O4/c1-2-14-3-5-15(6-4-14)8-12-13(18)11(17)7-10(9-16)19-12/h7,16,18H,2-6,8-9H2,1H3/p+2