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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)C2=C(C=C(C=C2C)C)C)C.[Br-]

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)C2=C(C=C(C=C2C)C)C)C.[Br-]

InChI

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