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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone chloride Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(4-tert-butylpyridin-1-ium-1-yl)ethanone chloride CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone chloride IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(4-tert-butylpyridin-1-ium-1-yl)ethanone chloride Traditional Name: 1-(4-benzylpiperidino)-2-(4-tert-butylpyridin-1-ium-1-yl)ethanone chloride Formula: C23H31ClN2O MolecularWeight: 386.95804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N2O.ClH/c1-23(2,3)21-11-13-24(14-12-21)18-22(26)25-15-9-20(10-16-25)17-19-7-5-4-6-8-19;/h4-8,11-14,20H,9-10,15-18H2,1-3H3;1H/q+1;/p-1