1-(3,4-dimethoxyphenyl)-2-(6-methoxyquinolin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(6-methoxyquinolin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(6-methoxyquinolin-1-ium-1-yl)ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-(6-methoxy-1-quinolin-1-iumyl)ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(6-methoxyquinolin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(6-methoxyquinolin-1-ium-1-yl)ethanone bromide Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20NO4.BrH/c1-23-16-7-8-17-14(11-16)5-4-10-21(17)13-18(22)15-6-9-19(24-2)20(12-15)25-3;/h4-12H,13H2,1-3H3;1H/q+1;/p-1