1-phenyl-2-(3-quinolin-2-ylquinolin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-phenyl-2-(3-quinolin-2-ylquinolin-1-ium-1-yl)ethanone bromide Openeye Name: 1-phenyl-2-[3-(2-quinolyl)quinolin-1-ium-1-yl]ethanone bromide CAS Name: 1-phenyl-2-[3-(2-quinolinyl)-1-quinolin-1-iumyl]ethanone bromide IUPAC Name: 1-phenyl-2-(3-quinolin-2-ylquinolin-1-ium-1-yl)ethanone bromide Traditional Name: 1-phenyl-2-[3-(2-quinolyl)quinolin-1-ium-1-yl]ethanone bromide Formula: C26H19BrN2O MolecularWeight: 455.34586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC(=CC3=CC=CC=C32)C4=NC5=CC=CC=C5C=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC(=CC3=CC=CC=C32)C4=NC5=CC=CC=C5C=C4.[Br-]

InChI

InChI=1S/C26H19N2O.BrH/c29-26(20-9-2-1-3-10-20)18-28-17-22(16-21-11-5-7-13-25(21)28)24-15-14-19-8-4-6-12-23(19)27-24;/h1-17H,18H2;1H/q+1;/p-1