2-[(4-ethylpiperazin-1-ium-1-yl)methyl]-6-(hydroxymethyl)-4-oxidanylidene-pyran-3-olate

Systemtic Name: 2-[(4-ethylpiperazin-1-ium-1-yl)methyl]-6-(hydroxymethyl)-4-oxidanylidene-pyran-3-olate Openeye Name: 2-[(4-ethylpiperazin-1-ium-1-yl)methyl]-6-(hydroxymethyl)-4-oxo-pyran-3-olate CAS Name: 2-[(4-ethyl-1-piperazin-1-iumyl)methyl]-6-(hydroxymethyl)-4-oxo-3-pyranolate IUPAC Name: 2-[(4-ethylpiperazin-1-ium-1-yl)methyl]-6-(hydroxymethyl)-4-oxopyran-3-olate Traditional Name: 2-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-6-methylol-pyran-3-olate Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)[O-]

Isomeric SMILES

CCN1CC[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