2-(3-ethanoylpyridin-1-ium-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(3-ethanoylpyridin-1-ium-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(4-benzyl-1-piperidyl)ethanone CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(4-benzylpiperidin-1-yl)ethanone Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(4-benzylpiperidino)ethanone Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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