(1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-chlorophenyl)-2-phenyl-ethanoate iodide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-chlorophenyl)-2-phenyl-ethanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-chlorophenyl)-2-phenyl-acetate iodide CAS Name: 2-(3-chlorophenyl)-2-phenylacetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3-chlorophenyl)-2-phenylacetate iodide Traditional Name: 2-(3-chlorophenyl)-2-phenyl-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C21H25ClINO2 MolecularWeight: 485.78617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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