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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(4-methoxyphenyl)ethanone bromide Formula: C18H16BrNO2 MolecularWeight: 358.22914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]

InChI

InChI=1S/C18H16NO2.BrH/c1-21-17-8-6-15(7-9-17)18(20)13-19-11-10-14-4-2-3-5-16(14)12-19;/h2-12H,13H2,1H3;1H/q+1;/p-1