2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C19H19FN3O4S+ MolecularWeight: 404.435263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H18FN3O4S/c20-14-5-7-15(8-6-14)28(26,27)22-11-9-21(10-12-22)13-23-18(24)16-3-1-2-4-17(16)19(23)25/h1-8H,9-13H2/p+1