2-isoquinolin-2-ium-2-yl-1-(3-methoxyphenyl)ethanone bromide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(3-methoxyphenyl)ethanone bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(3-methoxyphenyl)ethanone bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(3-methoxyphenyl)ethanone bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(3-methoxyphenyl)ethanone bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(3-methoxyphenyl)ethanone bromide Formula: C18H16BrNO2 MolecularWeight: 358.22914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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