1-(1-adamantyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(1-adamantyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(1-adamantyl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-(1-adamantyl)-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(1-adamantyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(1-adamantyl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone Formula: C22H32NO+ MolecularWeight: 326.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32NO/c1-3-19(4-2)20-5-7-23(8-6-20)15-21(24)22-12-16-9-17(13-22)11-18(10-16)14-22/h5-8,16-19H,3-4,9-15H2,1-2H3/q+1