ethyl 1-[[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3,6-diketo-1H-pyridazin-2-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C13H20N3O4+ MolecularWeight: 282.3156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1