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

Systemtic Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H24FN3O2/c1-15-3-8-19(16(2)13-15)26-21(27)14-20(22(26)28)25-11-9-24(10-12-25)18-6-4-17(23)5-7-18/h3-8,13,20H,9-12,14H2,1-2H3/p+1/t20-/m0/s1