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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-methoxyphenyl)-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-hydroxy-2-(4-methoxyphenyl)-2-phenyl-acetate iodide CAS Name: 2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetate iodide Traditional Name: 2-hydroxy-2-(4-methoxyphenyl)-2-phenyl-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C22H28INO4 MolecularWeight: 497.36649

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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)OC)O)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO4.HI/c1-23(2)15-13-20(14-16-23)27-21(24)22(25,17-7-5-4-6-8-17)18-9-11-19(26-3)12-10-18;/h4-12,20,25H,13-16H2,1-3H3;1H/q+1;/p-1