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

Systemtic Name: 2-[(3-fluorophenyl)methyl]-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one CAS Name: 2-[(3-fluorophenyl)methyl]-6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-3-pyridazinone IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(3-fluorobenzyl)pyridazin-3-one Formula: C23H24FN4O2+ MolecularWeight: 407.460663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NN(C(=O)C=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NN(C(=O)C=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C23H23FN4O2/c24-20-8-4-7-19(15-20)17-28-22(29)10-9-21(25-28)23(30)27-13-11-26(12-14-27)16-18-5-2-1-3-6-18/h1-10,15H,11-14,16-17H2/p+1