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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenyl-ethanoate iodide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenyl-acetate iodide CAS Name: 2-cyclohexyl-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester iodide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenylacetate iodide Traditional Name: 2-cyclohexyl-2-phenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester iodide Formula: C20H30INO2 MolecularWeight: 443.36217

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C20H30NO2.HI/c1-21(2)14-13-18(15-21)23-20(22)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3,5-6,9-10,17-19H,4,7-8,11-15H2,1-2H3;1H/q+1;/p-1