1-(4-methoxyphenyl)-2-(1-methyl-3,4-dihydroisoquinolin-2-ium-2-yl)ethanone bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-(1-methyl-3,4-dihydroisoquinolin-2-ium-2-yl)ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-(1-methyl-3,4-dihydroisoquinolin-2-ium-2-yl)ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-(1-methyl-3,4-dihydroisoquinolin-2-ium-2-yl)ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-(1-methyl-3,4-dihydroisoquinolin-2-ium-2-yl)ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-(1-methyl-3,4-dihydroisoquinolin-2-ium-2-yl)ethanone bromide Formula: C19H20BrNO2 MolecularWeight: 374.2716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](CCC2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)OC.[Br-]

Isomeric SMILES

CC1=[N+](CCC2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)OC.[Br-]

InChI

InChI=1S/C19H20NO2.BrH/c1-14-18-6-4-3-5-15(18)11-12-20(14)13-19(21)16-7-9-17(22-2)10-8-16;/h3-10H,11-13H2,1-2H3;1H/q+1;/p-1