2-(3-bromanylpyridin-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanone bromide

Systemtic Name: 2-(3-bromanylpyridin-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanone bromide Openeye Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanone bromide CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-(2,4,6-trimethylphenyl)ethanone bromide IUPAC Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanone bromide Traditional Name: 2-(3-bromopyridin-1-ium-1-yl)-1-mesityl-ethanone bromide Formula: C16H17Br2NO MolecularWeight: 399.12028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C[N+]2=CC=CC(=C2)Br)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C[N+]2=CC=CC(=C2)Br)C.[Br-]

InChI

InChI=1S/C16H17BrNO.BrH/c1-11-7-12(2)16(13(3)8-11)15(19)10-18-6-4-5-14(17)9-18;/h4-9H,10H2,1-3H3;1H/q+1;/p-1