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

Systemtic Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C23H25F3N3O2+ MolecularWeight: 432.45871

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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=CC(=C4)C(F)(F)F)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24F3N3O2/c1-15-6-7-19(16(2)12-15)29-21(30)14-20(22(29)31)28-10-8-27(9-11-28)18-5-3-4-17(13-18)23(24,25)26/h3-7,12-13,20H,8-11,14H2,1-2H3/p+1/t20-/m0/s1