ethyl 1-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3/c1-4-23-16(22)13-5-7-19(8-6-13)10-20-15(21)14(9-17)11(2)12(3)18-20/h13H,4-8,10H2,1-3H3/p+1