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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38NO2.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;/h5-7,10-11,18,20-24H,4,8-9,12-17H2,1-3H3;1H/q+1;/p-1/t20-,21+,22?,23?,24?,26?;