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

Systemtic Name: 3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazine-1,4-dione CAS Name: 3-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazine-1,4-quinone Formula: C19H20FN4O2+ MolecularWeight: 355.386103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C(=O)N2)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C(=O)N2)C4=CC=CC=C4F

InChI

InChI=1S/C19H19FN4O2/c20-16-7-3-4-8-17(16)23-11-9-22(10-12-23)13-24-19(26)15-6-2-1-5-14(15)18(25)21-24/h1-8H,9-13H2,(H,21,25)/p+1