2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyridazin-3-one

Systemtic Name: 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyridazin-3-one Openeye Name: 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-5-methoxy-6-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-3-pyridazinone IUPAC Name: 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-5-methoxy-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one Formula: C17H20FN4O3+ MolecularWeight: 347.364103

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=O)C=C2OC)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=O)C=C2OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN4O3/c1-20-7-9-21(10-8-20)17(24)16-14(25-2)11-15(23)22(19-16)13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3/p+1