2-(4-fluorophenyl)-5-methoxy-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-3-one

Systemtic Name: 2-(4-fluorophenyl)-5-methoxy-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-fluorophenyl)-5-methoxy-pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-5-methoxy-6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-3-pyridazinone IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-fluorophenyl)-5-methoxypyridazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-fluorophenyl)-5-methoxy-pyridazin-3-one Formula: C23H24FN4O3+ MolecularWeight: 423.460063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)N(N=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=O)N(N=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O3/c1-31-20-15-21(29)28(19-9-7-18(24)8-10-19)25-22(20)23(30)27-13-11-26(12-14-27)16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3/p+1