1-(1-adamantyl)-2-(3-ethanoylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(1-adamantyl)-2-(3-ethanoylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(1-adamantyl)ethanone bromide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-(1-adamantyl)ethanone bromide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(1-adamantyl)ethanone bromide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(1-adamantyl)ethanone bromide Formula: C19H24BrNO2 MolecularWeight: 378.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC(=O)C23CC4CC(C2)CC(C4)C3.[Br-]

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC(=O)C23CC4CC(C2)CC(C4)C3.[Br-]

InChI

InChI=1S/C19H24NO2.BrH/c1-13(21)17-3-2-4-20(11-17)12-18(22)19-8-14-5-15(9-19)7-16(6-14)10-19;/h2-4,11,14-16H,5-10,12H2,1H3;1H/q+1;/p-1