3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one Formula: C17H20FN4O3+ MolecularWeight: 347.364103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=NNC(=O)C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C17H19FN4O3/c1-25-15-4-2-13(18)10-12(15)11-21-6-8-22(9-7-21)17(24)14-3-5-16(23)20-19-14/h2-5,10H,6-9,11H2,1H3,(H,20,23)/p+1