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

Systemtic Name: (4E)-5-(2,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[(4-methylphenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy(p-tolyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione CAS Name: (4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy(p-tolyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-quinone Formula: C26H28N3O5+ MolecularWeight: 462.51762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=C(C=C(C=C4)OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=C(C=C(C=C4)OC)OC)/O

InChI

InChI=1S/C26H27N3O5/c1-17-5-7-18(8-6-17)24(30)22-23(20-10-9-19(33-2)15-21(20)34-3)29(26(32)25(22)31)13-4-12-28-14-11-27-16-28/h5-11,14-16,23H,4,12-13H2,1-3H3,(H,30,31)/p+1