2-(6-methoxyisoquinolin-2-ium-2-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(6-methoxyisoquinolin-2-ium-2-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(6-methoxyisoquinolin-2-ium-2-yl)-1-phenyl-ethanone bromide CAS Name: 2-(6-methoxy-2-isoquinolin-2-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(6-methoxyisoquinolin-2-ium-2-yl)-1-phenylethanone bromide Traditional Name: 2-(6-methoxyisoquinolin-2-ium-2-yl)-1-phenyl-ethanone bromide Formula: C18H16BrNO2 MolecularWeight: 358.22914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=[N+](C=C2)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1)C=[N+](C=C2)CC(=O)C3=CC=CC=C3.[Br-]

InChI

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