2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate iodide

Systemtic Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl 2-cycloheptyl-2-hydroxy-2-phenyl-acetate iodide CAS Name: 2-cycloheptyl-2-hydroxy-2-phenylacetic acid 2-(2,3-dimethyl-1-imidazol-3-iumyl)ethyl ester iodide IUPAC Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl 2-cycloheptyl-2-hydroxy-2-phenylacetate iodide Traditional Name: 2-cycloheptyl-2-hydroxy-2-phenyl-acetic acid 2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl ester iodide Formula: C22H31IN2O3 MolecularWeight: 498.39761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CCOC(=O)C(C2CCCCCC2)(C3=CC=CC=C3)O)C.[I-]

Isomeric SMILES

CC1=[N+](C=CN1CCOC(=O)C(C2CCCCCC2)(C3=CC=CC=C3)O)C.[I-]

InChI

InChI=1S/C22H31N2O3.HI/c1-18-23(2)14-15-24(18)16-17-27-21(25)22(26,20-12-8-5-9-13-20)19-10-6-3-4-7-11-19;/h5,8-9,12-15,19,26H,3-4,6-7,10-11,16-17H2,1-2H3;1H/q+1;/p-1