4-[oxidanyl(phenyl)methylidene]-5-pyridin-1-ium-3-yl-1-pyridin-2-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-[oxidanyl(phenyl)methylidene]-5-pyridin-1-ium-3-yl-1-pyridin-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy(phenyl)methylene]-5-pyridin-1-ium-3-yl-1-(2-pyridyl)pyrrolidine-2,3-dione CAS Name: 4-[hydroxy(phenyl)methylidene]-5-(3-pyridin-1-iumyl)-1-(2-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy(phenyl)methylidene]-5-pyridin-1-ium-3-yl-1-pyridin-2-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy(phenyl)methylene]-5-pyridin-1-ium-3-yl-1-(2-pyridyl)pyrrolidine-2,3-quinone Formula: C21H16N3O3+ MolecularWeight: 358.37004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=C[NH+]=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=C[NH+]=CC=C4)O

InChI

InChI=1S/C21H15N3O3/c25-19(14-7-2-1-3-8-14)17-18(15-9-6-11-22-13-15)24(21(27)20(17)26)16-10-4-5-12-23-16/h1-13,18,25H/p+1