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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(3-cyclopentyl-2-oxidanyl-phenyl)ethanoate iodide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(3-cyclopentyl-2-hydroxy-phenyl)acetate iodide CAS Name: 2-(3-cyclopentyl-2-hydroxyphenyl)acetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(3-cyclopentyl-2-hydroxyphenyl)acetate iodide Traditional Name: 2-(3-cyclopentyl-2-hydroxy-phenyl)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester iodide Formula: C19H28INO3 MolecularWeight: 445.33499

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)CC2=CC=CC(=C2O)C3CCCC3)C.[I-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)CC2=CC=CC(=C2O)C3CCCC3)C.[I-]

InChI

InChI=1S/C19H27NO3.HI/c1-20(2)11-10-16(13-20)23-18(21)12-15-8-5-9-17(19(15)22)14-6-3-4-7-14;/h5,8-9,14,16H,3-4,6-7,10-13H2,1-2H3;1H