4-(3,4-dimethoxyphenyl)carbonyl-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(3,4-dimethoxyphenyl)carbonyl-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-(3,4-dimethoxybenzoyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[(3,4-dimethoxyphenyl)-oxomethyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-(3,4-dimethoxybenzoyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 5-pyridin-1-ium-3-yl-4-veratroyl-pyrrolidine-2,3-quinone Formula: C18H17N2O5+ MolecularWeight: 341.33798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2C(NC(=O)C2=O)C3=C[NH+]=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2C(NC(=O)C2=O)C3=C[NH+]=CC=C3)OC

InChI

InChI=1S/C18H16N2O5/c1-24-12-6-5-10(8-13(12)25-2)16(21)14-15(20-18(23)17(14)22)11-4-3-7-19-9-11/h3-9,14-15H,1-2H3,(H,20,23)/p+1