1-(1-adamantyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-(4-benzoylpyridin-1-ium-1-yl)ethanone CAS Name: 1-(1-adamantyl)-2-(4-benzoyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(1-adamantyl)-2-(4-benzoylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(1-adamantyl)-2-(4-benzoylpyridin-1-ium-1-yl)ethanone Formula: C24H26NO2+ MolecularWeight: 360.46874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26NO2/c26-22(24-13-17-10-18(14-24)12-19(11-17)15-24)16-25-8-6-21(7-9-25)23(27)20-4-2-1-3-5-20/h1-9,17-19H,10-16H2/q+1