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

Systemtic Name: 6-(hydroxymethyl)-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-pyran-3-olate Openeye Name: 6-(hydroxymethyl)-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-pyran-3-olate CAS Name: 6-(hydroxymethyl)-2-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-3-pyranolate IUPAC Name: 6-(hydroxymethyl)-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxopyran-3-olate Traditional Name: 4-keto-6-methylol-2-[(4-methylpiperazin-1-ium-1-yl)methyl]pyran-3-olate Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C(=O)C=C(O2)CO)[O-]

InChI

InChI=1S/C12H18N2O4/c1-13-2-4-14(5-3-13)7-11-12(17)10(16)6-9(8-15)18-11/h6,15,17H,2-5,7-8H2,1H3