2-(3-methyl-2-propan-2-yl-imidazol-3-ium-1-yl)ethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate iodide

Systemtic Name: 2-(3-methyl-2-propan-2-yl-imidazol-3-ium-1-yl)ethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: 2-(2-isopropyl-3-methyl-imidazol-3-ium-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate iodide CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 2-(3-methyl-2-propan-2-yl-1-imidazol-3-iumyl)ethyl ester iodide IUPAC Name: 2-(3-methyl-2-propan-2-ylimidazol-3-ium-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate iodide Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 2-(2-isopropyl-3-methyl-imidazol-3-ium-1-yl)ethyl ester iodide Formula: C23H33IN2O3 MolecularWeight: 512.42419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1CCOC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C.[I-]

Isomeric SMILES

CC(C)C1=[N+](C=CN1CCOC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C.[I-]

InChI

InChI=1S/C23H33N2O3.HI/c1-18(2)21-24(3)14-15-25(21)16-17-28-22(26)23(27,19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4,6-7,10-11,14-15,18,20,27H,5,8-9,12-13,16-17H2,1-3H3;1H/q+1;/p-1