3-[(5-bromanylpyridin-2-yl)amino]-1-phenyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione chloride

Systemtic Name: 3-[(5-bromanylpyridin-2-yl)amino]-1-phenyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione chloride Openeye Name: 3-[(5-bromo-2-pyridyl)amino]-1-phenyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione chloride CAS Name: 3-[(5-bromo-2-pyridinyl)amino]-1-phenyl-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione chloride IUPAC Name: 3-[(5-bromopyridin-2-yl)amino]-1-phenyl-4-pyridin-1-ium-1-ylpyrrole-2,5-dione chloride Traditional Name: 3-[(5-bromo-2-pyridyl)amino]-1-phenyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone chloride Formula: C20H14BrClN4O2 MolecularWeight: 457.70776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)[N+]3=CC=CC=C3)NC4=NC=C(C=C4)Br.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)[N+]3=CC=CC=C3)NC4=NC=C(C=C4)Br.[Cl-]

InChI

InChI=1S/C20H13BrN4O2.ClH/c21-14-9-10-16(22-13-14)23-17-18(24-11-5-2-6-12-24)20(27)25(19(17)26)15-7-3-1-4-8-15;/h1-13H;1H