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

Systemtic Name: [(1R,5S)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate iodide Openeye Name: [(1R,5S)-8-ethyl-8-methyl-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-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester iodide IUPAC Name: [(1R,5S)-8-ethyl-8-methyl-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-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester iodide Formula: C23H32INO2 MolecularWeight: 481.41015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32NO2.HI/c1-3-24(2)18-13-14-19(24)16-20(15-18)26-23(25)22-12-8-7-11-21(22)17-9-5-4-6-10-17;/h4-6,9-11,18-20,22H,3,7-8,12-16H2,1-2H3;1H/q+1;/p-1/t18-,19+,20?,22?,24?;