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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)carbonyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 5-(3,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 5-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)-oxomethyl]-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 5-(3,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 5-(3,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C25H22FN2O5+ MolecularWeight: 449.450983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=O)C(=O)N2CC3=C[NH+]=CC=C3)C(=O)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(=O)C(=O)N2CC3=C[NH+]=CC=C3)C(=O)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H21FN2O5/c1-32-19-10-7-17(12-20(19)33-2)22-21(23(29)16-5-8-18(26)9-6-16)24(30)25(31)28(22)14-15-4-3-11-27-13-15/h3-13,21-22H,14H2,1-2H3/p+1