[(1R,5S)-8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate iodide

Systemtic Name: [(1R,5S)-8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate iodide Openeye Name: [(1R,5S)-8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexanecarboxylate iodide CAS Name: 2-phenyl-1-cyclohexanecarboxylic acid [(1R,5S)-8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester iodide IUPAC Name: [(1R,5S)-8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate iodide Traditional Name: 2-phenylcyclohexanecarboxylic acid [(1R,5S)-8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester iodide Formula: C24H36INO2 MolecularWeight: 497.45261

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2CCC1CC(C2)OC(=O)C3CCCCC3C4=CC=CC=C4)CC.[I-]

Isomeric SMILES

CC[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3CCCCC3C4=CC=CC=C4)CC.[I-]

InChI

InChI=1S/C24H36NO2.HI/c1-3-25(4-2)19-14-15-20(25)17-21(16-19)27-24(26)23-13-9-8-12-22(23)18-10-6-5-7-11-18;/h5-7,10-11,19-23H,3-4,8-9,12-17H2,1-2H3;1H/q+1;/p-1/t19-,20+,21?,22?,23?;