2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-dione CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-quinone Formula: C15H18FN4O2+ MolecularWeight: 305.327423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C=CC(=O)N2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C=CC(=O)N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H17FN4O2/c16-12-1-3-13(4-2-12)19-9-7-18(8-10-19)11-20-15(22)6-5-14(21)17-20/h1-6H,7-11H2,(H,17,21)/p+1