2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzo[de]isoquinoline-1,3-quinone Formula: C23H21FN3O2+ MolecularWeight: 390.430143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5F

InChI

InChI=1S/C23H20FN3O2/c24-19-9-1-2-10-20(19)26-13-11-25(12-14-26)15-27-22(28)17-7-3-5-16-6-4-8-18(21(16)17)23(27)29/h1-10H,11-15H2/p+1