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

Systemtic Name: 5-(2,3-dimethoxyphenyl)-4-[(4-methoxy-2-methyl-phenyl)-oxidanyl-methylidene]-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 5-(2,3-dimethoxyphenyl)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 5-(2,3-dimethoxyphenyl)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 5-(2,3-dimethoxyphenyl)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 5-(2,3-dimethoxyphenyl)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C27H27N2O6+ MolecularWeight: 475.51308

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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=C(C(=CC=C4)OC)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O6/c1-16-13-18(33-2)10-11-19(16)24(30)22-23(20-8-5-9-21(34-3)26(20)35-4)29(27(32)25(22)31)15-17-7-6-12-28-14-17/h5-14,23,30H,15H2,1-4H3/p+1