(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenylcyclopentane-1-carboxylate iodide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenylcyclopentane-1-carboxylate iodide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenylcyclopentanecarboxylate iodide CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester iodide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenylcyclopentane-1-carboxylate iodide Traditional Name: 1-phenylcyclopentanecarboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester iodide Formula: C21H30INO2 MolecularWeight: 455.37287

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C3(CCCC3)C4=CC=CC=C4)C.[I-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C3(CCCC3)C4=CC=CC=C4)C.[I-]

InChI

InChI=1S/C21H30NO2.HI/c1-22(2)17-10-11-18(22)15-19(14-17)24-20(23)21(12-6-7-13-21)16-8-4-3-5-9-16;/h3-5,8-9,17-19H,6-7,10-15H2,1-2H3;1H/q+1;/p-1