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

Systemtic Name: (3R)-1-(2,4-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(2,4-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(2,4-dimethoxyphenyl)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(2,4-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-(2,4-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C22H25FN3O4+ MolecularWeight: 414.450003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4F)OC

InChI

InChI=1S/C22H24FN3O4/c1-29-15-7-8-18(20(13-15)30-2)26-21(27)14-19(22(26)28)25-11-9-24(10-12-25)17-6-4-3-5-16(17)23/h3-8,13,19H,9-12,14H2,1-2H3/p+1/t19-/m1/s1