1-(1-adamantyl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(1-adamantyl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(1-adamantyl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(1-adamantyl)-2-(4-methyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(1-adamantyl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(1-adamantyl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide Formula: C18H24BrNO MolecularWeight: 350.29326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)C23CC4CC(C2)CC(C4)C3.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)C23CC4CC(C2)CC(C4)C3.[Br-]

InChI

InChI=1S/C18H24NO.BrH/c1-13-2-4-19(5-3-13)12-17(20)18-9-14-6-15(10-18)8-16(7-14)11-18;/h2-5,14-16H,6-12H2,1H3;1H/q+1;/p-1