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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(2,4,6-trimethylphenyl)ethanone bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(2,4,6-trimethylphenyl)ethanone bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(2,4,6-trimethylphenyl)ethanone bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(2,4,6-trimethylphenyl)ethanone bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-mesityl-ethanone bromide Formula: C20H20BrNO MolecularWeight: 370.2829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)C.[Br-]

InChI

InChI=1S/C20H20NO.BrH/c1-14-10-15(2)20(16(3)11-14)19(22)13-21-9-8-17-6-4-5-7-18(17)12-21;/h4-12H,13H2,1-3H3;1H/q+1;/p-1