(1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-phenyl-ethanoate iodide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-phenyl-ethanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-phenyl-acetate iodide CAS Name: 2-(4-chlorophenyl)-2-phenylacetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-phenylacetate iodide Traditional Name: 2-(4-chlorophenyl)-2-phenyl-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C21H25ClINO2 MolecularWeight: 485.78617

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C.[I-]

InChI

InChI=1S/C21H25ClNO2.HI/c1-23(2)14-12-19(13-15-23)25-21(24)20(16-6-4-3-5-7-16)17-8-10-18(22)11-9-17;/h3-11,19-20H,12-15H2,1-2H3;1H/q+1;/p-1