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

Systemtic Name: [(1R,5S)-8-ethyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate iodide Openeye Name: [(1R,5S)-8-ethyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexanecarboxylate iodide CAS Name: 2-phenyl-1-cyclohexanecarboxylic acid [(1R,5S)-8-ethyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester iodide IUPAC Name: [(1R,5S)-8-ethyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate iodide Traditional Name: 2-phenylcyclohexanecarboxylic acid [(1R,5S)-8-ethyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester iodide Formula: C25H38INO2 MolecularWeight: 511.47919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38NO2.HI/c1-3-16-26(4-2)20-14-15-21(26)18-22(17-20)28-25(27)24-13-9-8-12-23(24)19-10-6-5-7-11-19;/h5-7,10-11,20-24H,3-4,8-9,12-18H2,1-2H3;1H/q+1;/p-1/t20-,21+,22?,23?,24?,26?;