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

Systemtic Name: 4-(3-methoxyphenyl)carbonyl-1-(pyridin-1-ium-3-ylmethyl)-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: 4-(3-methoxybenzoyl)-1-(pyridin-1-ium-3-ylmethyl)-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: 4-[(3-methoxyphenyl)-oxomethyl]-1-(3-pyridin-1-iumylmethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: 4-(3-methoxybenzoyl)-1-(pyridin-1-ium-3-ylmethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: 4-m-anisoyl-1-(pyridin-1-ium-3-ylmethyl)-5-(4-pyridyl)pyrrolidine-2,3-quinone Formula: C23H20N3O4+ MolecularWeight: 402.4226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H19N3O4/c1-30-18-6-2-5-17(12-18)21(27)19-20(16-7-10-24-11-8-16)26(23(29)22(19)28)14-15-4-3-9-25-13-15/h2-13,19-20H,14H2,1H3/p+1