2-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C21H22FN4O2+ MolecularWeight: 381.423383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C=N3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C=N3)F

InChI

InChI=1S/C21H21FN4O2/c1-15(27)16-6-7-20(19(22)12-16)25-10-8-24(9-11-25)14-26-21(28)18-5-3-2-4-17(18)13-23-26/h2-7,12-13H,8-11,14H2,1H3/p+1