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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) (2R)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) (2R)-2-cyclohexyl-2-hydroxy-2-phenyl-acetate iodide CAS Name: (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate iodide Traditional Name: (2R)-2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester iodide Formula: C21H32INO3 MolecularWeight: 473.38815

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)[C@@](C2CCCCC2)(C3=CC=CC=C3)O)C.[I-]

InChI

InChI=1S/C21H32NO3.HI/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3,5-6,9-10,18-19,24H,4,7-8,11-16H2,1-2H3;1H/q+1;/p-1/t21-;/m0./s1