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

Systemtic Name: (3R)-1-(4-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C21H20BrF3N3O2+ MolecularWeight: 483.30161

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H19BrF3N3O2/c22-15-4-6-16(7-5-15)28-19(29)13-18(20(28)30)27-10-8-26(9-11-27)17-3-1-2-14(12-17)21(23,24)25/h1-7,12,18H,8-11,13H2/p+1/t18-/m1/s1