5-(4-ethoxy-3-methoxy-phenyl)-4-(4-methoxy-2-methyl-phenyl)carbonyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: 5-(4-ethoxy-3-methoxy-phenyl)-4-(4-methoxy-2-methyl-phenyl)carbonyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 5-(4-ethoxy-3-methoxy-phenyl)-4-(4-methoxy-2-methyl-benzoyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 5-(4-ethoxy-3-methoxyphenyl)-4-[(4-methoxy-2-methylphenyl)-oxomethyl]-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 5-(4-ethoxy-3-methoxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 5-(4-ethoxy-3-methoxy-phenyl)-4-(4-methoxy-2-methyl-benzoyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C28H29N2O6+ MolecularWeight: 489.53966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(C(=O)C(=O)N2CC3=C[NH+]=CC=C3)C(=O)C4=C(C=C(C=C4)OC)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(C(=O)C(=O)N2CC3=C[NH+]=CC=C3)C(=O)C4=C(C=C(C=C4)OC)C)OC

InChI

InChI=1S/C28H28N2O6/c1-5-36-22-11-8-19(14-23(22)35-4)25-24(26(31)21-10-9-20(34-3)13-17(21)2)27(32)28(33)30(25)16-18-7-6-12-29-15-18/h6-15,24-25H,5,16H2,1-4H3/p+1