2-(3-methylimidazol-3-ium-1-yl)ethyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate iodide

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: 2-(3-methylimidazol-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-1-imidazol-3-iumyl)ethyl ester iodide IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate iodide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester iodide Formula: C19H25IN2O3 MolecularWeight: 456.31787

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C19H25N2O3.HI/c1-20-11-12-21(15-20)13-14-24-18(22)19(23,17-9-5-6-10-17)16-7-3-2-4-8-16;/h2-4,7-8,11-12,15,17,23H,5-6,9-10,13-14H2,1H3;1H/q+1;/p-1