1-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[(4-ethoxycarbonyl-1-piperidin-1-iumyl)methyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-6-oxopyridazin-3-olate Traditional Name: 1-[(4-carbethoxypiperidin-1-ium-1-yl)methyl]-6-keto-pyridazin-3-olate Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)C=CC(=N2)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)C=CC(=N2)[O-]

InChI

InChI=1S/C13H19N3O4/c1-2-20-13(19)10-5-7-15(8-6-10)9-16-12(18)4-3-11(17)14-16/h3-4,10H,2,5-9H2,1H3,(H,14,17)