4-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(2,2,2-trifluoroethyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(2,2,2-trifluoroethyl)-1-piperazin-4-iumyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2,2,2-trifluoroethyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2,2,2-trifluoroethyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Formula: C15H16F3N4O2+ MolecularWeight: 341.30835

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(F)(F)F)C(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1CN(CC[NH+]1CC(F)(F)F)C(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H15F3N4O2/c16-15(17,18)9-21-5-7-22(8-6-21)14(24)12-10-3-1-2-4-11(10)13(23)20-19-12/h1-4H,5-9H2,(H,20,23)/p+1