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

Systemtic Name: [(1R,5S)-8-ethyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate iodide Openeye Name: [(1R,5S)-8-ethyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate iodide CAS Name: 2-phenyl-1-cyclohex-2-enecarboxylic 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-phenylcyclohex-2-ene-1-carboxylate iodide Traditional Name: 2-phenylcyclohex-2-ene-1-carboxylic acid [(1R,5S)-8-ethyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester iodide Formula: C25H36INO2 MolecularWeight: 509.46331

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2CCC1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)CC.[I-]

Isomeric SMILES

CCC[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)CC.[I-]

InChI

InChI=1S/C25H36NO2.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;/h5-7,10-12,20-22,24H,3-4,8-9,13-18H2,1-2H3;1H/q+1;/p-1/t20-,21+,22?,24?,26?;