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

Systemtic Name: 1-(3-methoxyphenyl)-2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3-methoxyphenyl)-2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanone bromide CAS Name: 1-(3-methoxyphenyl)-2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanone bromide IUPAC Name: 1-(3-methoxyphenyl)-2-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3-methoxyphenyl)-2-(3-methyl-4-imidazolin-1-ium-1-yl)ethanone bromide Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C[NH+](C=C1)CC(=O)C2=CC(=CC=C2)OC.[Br-]

Isomeric SMILES

CN1C[NH+](C=C1)CC(=O)C2=CC(=CC=C2)OC.[Br-]

InChI

InChI=1S/C13H16N2O2.BrH/c1-14-6-7-15(10-14)9-13(16)11-4-3-5-12(8-11)17-2;/h3-8H,9-10H2,1-2H3;1H