3-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]-3-fluoranyl-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]-3-fluoranyl-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[3-fluoro-4-[4-(iminomethylene)piperazin-4-ium-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[3-fluoro-4-[4-(iminomethylidene)-1-piperazin-4-iumyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[3-fluoro-4-[4-(iminomethylidene)piperazin-4-ium-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[3-fluoro-4-[4-(iminomethylene)piperazin-4-ium-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C16H19FN5O+ MolecularWeight: 316.353363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CC[N+](=C=N)CC3)F

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CC[N+](=C=N)CC3)F

InChI

InChI=1S/C16H18FN5O/c1-11-8-15(23)19-20-16(11)12-2-3-14(13(17)9-12)22-6-4-21(10-18)5-7-22/h2-3,9,11,18H,4-8H2,1H3/p+1