4-[(4-methoxy-2-methyl-phenyl)-oxidanyl-methylidene]-5-(3-methoxy-4-oxidanyl-phenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: 4-[(4-methoxy-2-methyl-phenyl)-oxidanyl-methylidene]-5-(3-methoxy-4-oxidanyl-phenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C26H25N2O6+ MolecularWeight: 461.4865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC(=C(C=C4)O)OC)O

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC(=C(C=C4)O)OC)O

InChI

InChI=1S/C26H24N2O6/c1-15-11-18(33-2)7-8-19(15)24(30)22-23(17-6-9-20(29)21(12-17)34-3)28(26(32)25(22)31)14-16-5-4-10-27-13-16/h4-13,23,29-30H,14H2,1-3H3/p+1