1-(4-bromophenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide CAS Name: 1-(4-bromophenyl)-2-(2-isoquinolin-2-iumyl)ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-isoquinolin-2-ium-2-ylethanone bromide Traditional Name: 1-(4-bromophenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide Formula: C17H13Br2NO MolecularWeight: 407.09922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C17H13BrNO.BrH/c18-16-7-5-14(6-8-16)17(20)12-19-10-9-13-3-1-2-4-15(13)11-19;/h1-11H,12H2;1H/q+1;/p-1