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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36NO2.HI/c1-4-26(18(2)3)20-14-15-21(26)17-22(16-20)28-25(27)24-13-9-8-12-23(24)19-10-6-5-7-11-19;/h5-7,10-12,18,20-22,24H,4,8-9,13-17H2,1-3H3;1H/q+1;/p-1/t20-,21+,22?,24?,26?;