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

Systemtic Name: 3-[(5-bromanylpyridin-2-yl)amino]-1-phenyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[(5-bromo-2-pyridyl)amino]-1-phenyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[(5-bromo-2-pyridinyl)amino]-1-phenyl-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[(5-bromopyridin-2-yl)amino]-1-phenyl-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[(5-bromo-2-pyridyl)amino]-1-phenyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C20H14BrN4O2+ MolecularWeight: 422.25476

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrN4O2/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/p+1