(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C22H23FN3O4+ MolecularWeight: 412.434123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5F

InChI

InChI=1S/C22H22FN3O4/c23-16-3-1-2-4-17(16)24-7-9-25(10-8-24)18-14-21(27)26(22(18)28)15-5-6-19-20(13-15)30-12-11-29-19/h1-6,13,18H,7-12,14H2/p+1/t18-/m1/s1