2-[[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-[(2-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2-fluorobenzyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C20H22FN4O+ MolecularWeight: 353.413283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)CC4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)CC4=CC=CC=C4F

InChI

InChI=1S/C20H21FN4O/c21-19-8-4-2-6-17(19)14-23-9-11-24(12-10-23)15-25-20(26)18-7-3-1-5-16(18)13-22-25/h1-8,13H,9-12,14-15H2/p+1