ethyl 4-[[4-(1-methyl-6-oxidanylidene-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[4-(1-methyl-6-oxidanylidene-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[4-(1-methyl-6-oxo-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[4-(1-methyl-6-oxo-4-pyridazinyl)-1-piperazin-1-iumyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[4-(6-keto-1-methyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C16H23N6O3+ MolecularWeight: 347.39222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+]2CCN(CC2)C3=CC(=O)N(N=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+]2CCN(CC2)C3=CC(=O)N(N=C3)C

InChI

InChI=1S/C16H22N6O3/c1-3-25-16(24)15-12(9-17-19-15)11-21-4-6-22(7-5-21)13-8-14(23)20(2)18-10-13/h8-10H,3-7,11H2,1-2H3,(H,17,19)/p+1