2-(4-ethanoylpyridin-1-ium-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(4-ethanoylpyridin-1-ium-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-(4-acetylpyridin-1-ium-1-yl)-1-(4-benzyl-1-piperidyl)ethanone CAS Name: 2-(4-acetyl-1-pyridin-1-iumyl)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(4-acetylpyridin-1-ium-1-yl)-1-(4-benzylpiperidin-1-yl)ethanone Traditional Name: 2-(4-acetylpyridin-1-ium-1-yl)-1-(4-benzylpiperidino)ethanone Formula: C21H25N2O2+ MolecularWeight: 337.4354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=[N+](C=C1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=[N+](C=C1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N2O2/c1-17(24)20-9-11-22(12-10-20)16-21(25)23-13-7-19(8-14-23)15-18-5-3-2-4-6-18/h2-6,9-12,19H,7-8,13-16H2,1H3/q+1