(4E)-5-(4-ethylphenyl)-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-(4-ethylphenyl)-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-(4-ethylphenyl)-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-(4-ethylphenyl)-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-(4-ethylphenyl)-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-(4-ethylphenyl)-4-[hydroxy-(2-methylcoumaran-5-yl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-quinone Formula: C28H30N3O4+ MolecularWeight: 472.5555

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCC[N+]5=CNC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C(=O)N2CCC[N+]5=CNC=C5

InChI

InChI=1S/C28H29N3O4/c1-3-19-5-7-20(8-6-19)25-24(26(32)21-9-10-23-22(16-21)15-18(2)35-23)27(33)28(34)31(25)13-4-12-30-14-11-29-17-30/h5-11,14,16-18,25H,3-4,12-13,15H2,1-2H3,(H,32,33)/p+1