4-[(4-bromophenyl)-oxidanyl-methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-pyrrolidine-2,3-dione

Systemtic Name: 4-[(4-bromophenyl)-oxidanyl-methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-pyrrolidine-2,3-dione Openeye Name: 4-[(4-bromophenyl)-hydroxy-methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-pyrrolidine-2,3-dione CAS Name: 4-[(4-bromophenyl)-hydroxymethylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenylpyrrolidine-2,3-dione IUPAC Name: 4-[(4-bromophenyl)-hydroxymethylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenylpyrrolidine-2,3-dione Traditional Name: 4-[(4-bromophenyl)-hydroxy-methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-phenyl-pyrrolidine-2,3-quinone Formula: C23H21BrN3O3+ MolecularWeight: 467.33514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCC[N+]4=CNC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCC[N+]4=CNC=C4

InChI

InChI=1S/C23H20BrN3O3/c24-18-9-7-17(8-10-18)21(28)19-20(16-5-2-1-3-6-16)27(23(30)22(19)29)13-4-12-26-14-11-25-15-26/h1-3,5-11,14-15,20H,4,12-13H2,(H,28,29)/p+1