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

Systemtic Name: 2-(4-ethanoylpyridin-1-ium-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone chloride Openeye Name: 2-(4-acetylpyridin-1-ium-1-yl)-1-(4-benzyl-1-piperidyl)ethanone chloride CAS Name: 2-(4-acetyl-1-pyridin-1-iumyl)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone chloride IUPAC Name: 2-(4-acetylpyridin-1-ium-1-yl)-1-(4-benzylpiperidin-1-yl)ethanone chloride Traditional Name: 2-(4-acetylpyridin-1-ium-1-yl)-1-(4-benzylpiperidino)ethanone chloride Formula: C21H25ClN2O2 MolecularWeight: 372.8884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O2.ClH/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;1H/q+1;/p-1