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

Systemtic Name: 2-(3-methyl-2-propan-2-yl-imidazol-3-ium-1-yl)ethyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: 2-(2-isopropyl-3-methyl-imidazol-3-ium-1-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate iodide CAS Name: 2-cyclopentyl-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-cyclopentyl-2-hydroxy-2-phenylacetate iodide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid 2-(2-isopropyl-3-methyl-imidazol-3-ium-1-yl)ethyl ester iodide Formula: C22H31IN2O3 MolecularWeight: 498.39761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1CCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[I-]

Isomeric SMILES

CC(C)C1=[N+](C=CN1CCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[I-]

InChI

InChI=1S/C22H31N2O3.HI/c1-17(2)20-23(3)13-14-24(20)15-16-27-21(25)22(26,19-11-7-8-12-19)18-9-5-4-6-10-18;/h4-6,9-10,13-14,17,19,26H,7-8,11-12,15-16H2,1-3H3;1H/q+1;/p-1