5-(4-methoxyphenyl)-4-(phenylcarbonyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: 5-(4-methoxyphenyl)-4-(phenylcarbonyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 4-benzoyl-5-(4-methoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 4-benzoyl-5-(4-methoxyphenyl)-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 4-benzoyl-5-(4-methoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 4-benzoyl-5-(4-methoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C24H21N2O4+ MolecularWeight: 401.43454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O4/c1-30-19-11-9-17(10-12-19)21-20(22(27)18-7-3-2-4-8-18)23(28)24(29)26(21)15-16-6-5-13-25-14-16/h2-14,20-21H,15H2,1H3/p+1