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

Systemtic Name: 1-(1-adamantyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(1-adamantyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-(1-adamantyl)-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(1-adamantyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(1-adamantyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethanone Formula: C22H25N2O+ MolecularWeight: 333.4467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N2O/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/q+1