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

Systemtic Name: (3R)-1-(3-bromophenyl)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(3-bromophenyl)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-bromophenyl)-3-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-bromophenyl)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-(3-bromophenyl)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C20H20BrClN3O2+ MolecularWeight: 449.7487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H19BrClN3O2/c21-14-4-3-5-15(12-14)25-19(26)13-18(20(25)27)24-10-8-23(9-11-24)17-7-2-1-6-16(17)22/h1-7,12,18H,8-11,13H2/p+1/t18-/m1/s1