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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-methylphenyl)-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-hydroxy-2-phenyl-2-(p-tolyl)acetate iodide CAS Name: 2-hydroxy-2-(4-methylphenyl)-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-methylphenyl)-2-phenylacetate iodide Traditional Name: 2-hydroxy-2-phenyl-2-(p-tolyl)acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C22H28INO3 MolecularWeight: 481.36709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+](CC3)(C)C)O.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+](CC3)(C)C)O.[I-]

InChI

InChI=1S/C22H28NO3.HI/c1-17-9-11-19(12-10-17)22(25,18-7-5-4-6-8-18)21(24)26-20-13-15-23(2,3)16-14-20;/h4-12,20,25H,13-16H2,1-3H3;1H/q+1;/p-1