(4E)-5-(4-hydroxyphenyl)-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-hydroxyphenyl)-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)-4-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]-5-(4-hydroxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione CAS Name: (4E)-4-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]-5-(4-hydroxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-hydroxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione Traditional Name: (4E)-4-[hydroxy-(2-methylcoumaran-5-yl)methylene]-5-(4-hydroxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-quinone Formula: C26H26N3O5+ MolecularWeight: 460.50174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC[N+]4=CNC=C4)C5=CC=C(C=C5)O)O

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CCC[N+]4=CNC=C4)C5=CC=C(C=C5)O)/O

InChI

InChI=1S/C26H25N3O5/c1-16-13-19-14-18(5-8-21(19)34-16)24(31)22-23(17-3-6-20(30)7-4-17)29(26(33)25(22)32)11-2-10-28-12-9-27-15-28/h3-9,12,14-16,23H,2,10-11,13H2,1H3,(H2,30,31,32)/p+1