2-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 2-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-[2-fluoro-6-(trifluoromethyl)benzyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Formula: C17H19F4N4O+ MolecularWeight: 371.352573

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC3=C(C=CC=C3F)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC3=C(C=CC=C3F)C(F)(F)F

InChI

InChI=1S/C17H18F4N4O/c1-23-5-7-24(8-6-23)12-9-16(26)25(22-10-12)11-13-14(17(19,20)21)3-2-4-15(13)18/h2-4,9-10H,5-8,11H2,1H3/p+1