2-[(2-fluorophenyl)methyl]-4-[4-(quinoxalin-6-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2-fluorophenyl)methyl]-4-[4-(quinoxalin-6-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-[(2-fluorophenyl)methyl]-4-[4-(quinoxalin-6-ylmethyl)piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-[(2-fluorophenyl)methyl]-4-[4-(6-quinoxalinylmethyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[(2-fluorophenyl)methyl]-4-[4-(quinoxalin-6-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-(2-fluorobenzyl)-4-[4-(quinoxalin-6-ylmethyl)piperazin-4-ium-1-yl]isoindoline-1,3-quinone Formula: C28H25FN5O2+ MolecularWeight: 482.528803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=NC=CN=C3C=C2)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CC=CC=C6F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=NC=CN=C3C=C2)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CC=CC=C6F

InChI

InChI=1S/C28H24FN5O2/c29-22-6-2-1-4-20(22)18-34-27(35)21-5-3-7-25(26(21)28(34)36)33-14-12-32(13-15-33)17-19-8-9-23-24(16-19)31-11-10-30-23/h1-11,16H,12-15,17-18H2/p+1