2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanone bromide

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanone bromide Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanone bromide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(2,4,6-trimethylphenyl)ethanone bromide IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanone bromide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-mesityl-ethanone bromide Formula: C18H22BrNO MolecularWeight: 348.27738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22NO.BrH/c1-12-7-15(4)18(16(5)8-12)17(20)11-19-9-13(2)6-14(3)10-19;/h6-10H,11H2,1-5H3;1H/q+1;/p-1