3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one

Systemtic Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one Openeye Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one CAS Name: 3-[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-(2-fluorophenyl)-6-methyl-4-pyridazinone IUPAC Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one Traditional Name: 3-[4-(4-chlorobenzyl)piperazin-4-ium-1-carbonyl]-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one Formula: C23H23ClFN4O2+ MolecularWeight: 441.905723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClFN4O2/c1-16-14-21(30)22(26-29(16)20-5-3-2-4-19(20)25)23(31)28-12-10-27(11-13-28)15-17-6-8-18(24)9-7-17/h2-9,14H,10-13,15H2,1H3/p+1