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

Systemtic Name: 3-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Openeye Name: 3-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one CAS Name: 3-[[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-6-methyl-1-(2-nitrophenyl)-4-pyridazinone IUPAC Name: 3-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Traditional Name: 3-[4-(2-fluorobenzyl)piperazin-4-ium-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Formula: C23H23FN5O4+ MolecularWeight: 452.458223

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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=CC=CC=C4F

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H22FN5O4/c1-16-14-21(30)22(25-28(16)19-8-4-5-9-20(19)29(32)33)23(31)27-12-10-26(11-13-27)15-17-6-2-3-7-18(17)24/h2-9,14H,10-13,15H2,1H3/p+1