3-(2,3-dimethylimidazol-3-ium-1-yl)propyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate iodide

Systemtic Name: 3-(2,3-dimethylimidazol-3-ium-1-yl)propyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: 3-(2,3-dimethylimidazol-3-ium-1-yl)propyl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate iodide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid 3-(2,3-dimethyl-1-imidazol-3-iumyl)propyl ester iodide IUPAC Name: 3-(2,3-dimethylimidazol-3-ium-1-yl)propyl 2-cyclopentyl-2-hydroxy-2-phenylacetate iodide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid 3-(2,3-dimethylimidazol-3-ium-1-yl)propyl ester iodide Formula: C21H29IN2O3 MolecularWeight: 484.37103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CCCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[I-]

Isomeric SMILES

CC1=[N+](C=CN1CCCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[I-]

InChI

InChI=1S/C21H29N2O3.HI/c1-17-22(2)14-15-23(17)13-8-16-26-20(24)21(25,19-11-6-7-12-19)18-9-4-3-5-10-18;/h3-5,9-10,14-15,19,25H,6-8,11-13,16H2,1-2H3;1H/q+1;/p-1