3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-6-methyl-1-(2-nitrophenyl)pyridazin-4-one

Systemtic Name: 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Openeye Name: 3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one CAS Name: 3-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-6-methyl-1-(2-nitrophenyl)-4-pyridazinone IUPAC Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Traditional Name: 3-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Formula: C23H22ClFN5O4+ MolecularWeight: 486.903283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H21ClFN5O4/c1-15-13-21(31)22(26-29(15)19-7-2-3-8-20(19)30(33)34)23(32)28-11-9-27(10-12-28)14-16-17(24)5-4-6-18(16)25/h2-8,13H,9-12,14H2,1H3/p+1