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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(4-methylquinolin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(4-methylquinolin-1-ium-1-yl)ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-(4-methyl-1-quinolin-1-iumyl)ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(4-methylquinolin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(4-methylquinolin-1-ium-1-yl)ethanone bromide Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC(=C(C=C3)OC)OC.[Br-]

Isomeric SMILES

CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC(=C(C=C3)OC)OC.[Br-]

InChI

InChI=1S/C20H20NO3.BrH/c1-14-10-11-21(17-7-5-4-6-16(14)17)13-18(22)15-8-9-19(23-2)20(12-15)24-3;/h4-12H,13H2,1-3H3;1H/q+1;/p-1