(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylethanoate iodide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylethanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate iodide CAS Name: 2,2-diphenylacetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate iodide Traditional Name: 2,2-diphenylacetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C21H26INO2 MolecularWeight: 451.34111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO2.HI/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,19-20H,13-16H2,1-2H3;1H/q+1;/p-1