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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3,4-dichlorophenyl)-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-acetate iodide CAS Name: 2-(3,4-dichlorophenyl)-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3,4-dichlorophenyl)-2-hydroxy-2-phenylacetate iodide Traditional Name: 2-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C21H24Cl2INO3 MolecularWeight: 536.23063

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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)Cl)O)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2NO3.HI/c1-24(2)12-10-17(11-13-24)27-20(25)21(26,15-6-4-3-5-7-15)16-8-9-18(22)19(23)14-16;/h3-9,14,17,26H,10-13H2,1-2H3;1H/q+1;/p-1