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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4-(phenylcarbonyl)-1-pyridin-1-ium-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-benzoyl-5-(3,4-dimethoxyphenyl)-1-pyridin-1-ium-2-yl-pyrrolidine-2,3-dione CAS Name: 4-benzoyl-5-(3,4-dimethoxyphenyl)-1-(2-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-benzoyl-5-(3,4-dimethoxyphenyl)-1-pyridin-1-ium-2-ylpyrrolidine-2,3-dione Traditional Name: 4-benzoyl-5-(3,4-dimethoxyphenyl)-1-pyridin-1-ium-2-yl-pyrrolidine-2,3-quinone Formula: C24H21N2O5+ MolecularWeight: 417.43394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=O)C(=O)N2C3=CC=CC=[NH+]3)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(=O)C(=O)N2C3=CC=CC=[NH+]3)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H20N2O5/c1-30-17-12-11-16(14-18(17)31-2)21-20(22(27)15-8-4-3-5-9-15)23(28)24(29)26(21)19-10-6-7-13-25-19/h3-14,20-21H,1-2H3/p+1