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

Systemtic Name: (4E)-4-[(3-chloranyl-4-methoxy-phenyl)-oxidanyl-methylidene]-5-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-chloro-4-methoxy-phenyl)-hydroxy-methylene]-5-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-5-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-5-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-chloro-4-methoxy-phenyl)-hydroxy-methylene]-5-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-quinone Formula: C26H27ClN3O6+ MolecularWeight: 512.96208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(=C(C3=CC(=C(C=C3)OC)Cl)O)C(=O)C(=O)N2CCC[N+]4=CNC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2/C(=C(/C3=CC(=C(C=C3)OC)Cl)\O)/C(=O)C(=O)N2CCC[N+]4=CNC=C4

InChI

InChI=1S/C26H26ClN3O6/c1-34-17-6-8-20(35-2)18(14-17)23-22(24(31)16-5-7-21(36-3)19(27)13-16)25(32)26(33)30(23)11-4-10-29-12-9-28-15-29/h5-9,12-15,23H,4,10-11H2,1-3H3,(H,31,32)/p+1