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

Systemtic Name: 4-[(3-bromophenyl)-oxidanyl-methylidene]-5-pyridin-1-ium-3-yl-1-pyridin-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-[(3-bromophenyl)-hydroxy-methylene]-5-pyridin-1-ium-3-yl-1-(2-pyridyl)pyrrolidine-2,3-dione CAS Name: 4-[(3-bromophenyl)-hydroxymethylidene]-5-(3-pyridin-1-iumyl)-1-(2-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: 4-[(3-bromophenyl)-hydroxymethylidene]-5-pyridin-1-ium-3-yl-1-pyridin-2-ylpyrrolidine-2,3-dione Traditional Name: 4-[(3-bromophenyl)-hydroxy-methylene]-5-pyridin-1-ium-3-yl-1-(2-pyridyl)pyrrolidine-2,3-quinone Formula: C21H15BrN3O3+ MolecularWeight: 437.2661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C(C(=C(C3=CC(=CC=C3)Br)O)C(=O)C2=O)C4=C[NH+]=CC=C4

Isomeric SMILES

C1=CC=NC(=C1)N2C(C(=C(C3=CC(=CC=C3)Br)O)C(=O)C2=O)C4=C[NH+]=CC=C4

InChI

InChI=1S/C21H14BrN3O3/c22-15-7-3-5-13(11-15)19(26)17-18(14-6-4-9-23-12-14)25(21(28)20(17)27)16-8-1-2-10-24-16/h1-12,18,26H/p+1