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

Systemtic Name: (4E)-5-(3,4-dichlorophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[oxidanyl-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy-(4-propoxyphenyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy-(4-propoxyphenyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]pyrrolidine-2,3-quinone Formula: C26H26Cl2N3O4+ MolecularWeight: 515.40834

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC(=C(C=C4)Cl)Cl)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC(=C(C=C4)Cl)Cl)/O

InChI

InChI=1S/C26H25Cl2N3O4/c1-2-14-35-19-7-4-17(5-8-19)24(32)22-23(18-6-9-20(27)21(28)15-18)31(26(34)25(22)33)12-3-11-30-13-10-29-16-30/h4-10,13,15-16,23H,2-3,11-12,14H2,1H3,(H,32,33)/p+1