5-(furan-2-yl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-(phenylcarbonyl)pyrrolidine-2,3-dione

Systemtic Name: 5-(furan-2-yl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-(phenylcarbonyl)pyrrolidine-2,3-dione Openeye Name: 4-benzoyl-5-(2-furyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione CAS Name: 4-benzoyl-5-(2-furanyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione IUPAC Name: 4-benzoyl-5-(furan-2-yl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione Traditional Name: 4-benzoyl-5-(2-furyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-quinone Formula: C21H20N3O4+ MolecularWeight: 378.4012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=CO4

InChI

InChI=1S/C21H19N3O4/c25-19(15-6-2-1-3-7-15)17-18(16-8-4-13-28-16)24(21(27)20(17)26)11-5-10-23-12-9-22-14-23/h1-4,6-9,12-14,17-18H,5,10-11H2/p+1