2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone chloride

Systemtic Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone chloride Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone chloride CAS Name: 2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone chloride IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone chloride Traditional Name: 1-(4-benzylpiperidino)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone chloride Formula: C21H27ClN2O MolecularWeight: 358.90488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C21H27N2O.ClH/c1-17-7-6-12-23(18(17)2)16-21(24)22-13-10-20(11-14-22)15-19-8-4-3-5-9-19;/h3-9,12,20H,10-11,13-16H2,1-2H3;1H/q+1;/p-1