4-chloranyl-2-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 4-chloranyl-2-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Openeye Name: 4-chloro-2-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one CAS Name: 4-chloro-2-[(4-fluorophenyl)methyl]-5-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 4-chloro-2-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Traditional Name: 4-chloro-2-(4-fluorobenzyl)-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Formula: C16H19ClFN4O+ MolecularWeight: 337.799663

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)N(N=C2)CC3=CC=C(C=C3)F)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)N(N=C2)CC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C16H18ClFN4O/c1-20-6-8-21(9-7-20)14-10-19-22(16(23)15(14)17)11-12-2-4-13(18)5-3-12/h2-5,10H,6-9,11H2,1H3/p+1