1-(1-adamantyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(1-adamantyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(1-adamantyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(1-adamantyl)-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(1-adamantyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(1-adamantyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethanone bromide Formula: C22H25BrN2O MolecularWeight: 413.3507

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=C(C=C4)C5=CC=NC=C5.[Br-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=C(C=C4)C5=CC=NC=C5.[Br-]

InChI

InChI=1S/C22H25N2O.BrH/c25-21(22-12-16-9-17(13-22)11-18(10-16)14-22)15-24-7-3-20(4-8-24)19-1-5-23-6-2-19;/h1-8,16-18H,9-15H2;1H/q+1;/p-1