1-(3,4-dimethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-(2-isoquinolin-2-iumyl)ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-isoquinolin-2-ium-2-ylethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide Formula: C19H18BrNO3 MolecularWeight: 388.25512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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