2-(6-methoxyisoquinolin-2-ium-2-yl)-1-(4-methoxyphenyl)ethanone bromide

Systemtic Name: 2-(6-methoxyisoquinolin-2-ium-2-yl)-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(6-methoxyisoquinolin-2-ium-2-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(6-methoxy-2-isoquinolin-2-iumyl)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(6-methoxyisoquinolin-2-ium-2-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(6-methoxyisoquinolin-2-ium-2-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C19H18BrNO3 MolecularWeight: 388.25512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CC3=C(C=C2)C=C(C=C3)OC.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CC3=C(C=C2)C=C(C=C3)OC.[Br-]

InChI

InChI=1S/C19H18NO3.BrH/c1-22-17-6-3-14(4-7-17)19(21)13-20-10-9-15-11-18(23-2)8-5-16(15)12-20;/h3-12H,13H2,1-2H3;1H/q+1;/p-1