(4E)-5-(3-ethoxy-4-propoxy-phenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-oxidanyl-methylidene]pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(3-ethoxy-4-propoxy-phenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3-ethoxy-4-propoxy-phenyl)-4-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-ethoxy-4-propoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-ethoxy-4-propoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3-ethoxy-4-propoxy-phenyl)-4-[hydroxy-(2-methylcoumaran-5-yl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-quinone Formula: C31H36N3O6+ MolecularWeight: 546.63404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCC[N+]5=CNC=C5)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C(=O)N2CCC[N+]5=CNC=C5)OCC

InChI

InChI=1S/C31H35N3O6/c1-4-15-39-25-10-7-21(18-26(25)38-5-2)28-27(29(35)22-8-9-24-23(17-22)16-20(3)40-24)30(36)31(37)34(28)13-6-12-33-14-11-32-19-33/h7-11,14,17-20,28H,4-6,12-13,15-16H2,1-3H3,(H,35,36)/p+1