(8,8-diethyl-1-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate iodide

Systemtic Name: (8,8-diethyl-1-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate iodide Openeye Name: (8,8-diethyl-1-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate iodide CAS Name: 2-phenyl-1-cyclohex-2-enecarboxylic acid (8,8-diethyl-1-azoniabicyclo[3.2.1]octan-3-yl) ester iodide IUPAC Name: (8,8-diethyl-1-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate iodide Traditional Name: 2-phenylcyclohex-2-ene-1-carboxylic acid (8,8-diethyl-1-azoniabicyclo[3.2.1]octan-3-yl) ester iodide Formula: C24H34INO2 MolecularWeight: 495.43673

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2CC[NH+]1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)CC.[I-]

Isomeric SMILES

CCC1(C2CC[NH+]1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)CC.[I-]

InChI

InChI=1S/C24H33NO2.HI/c1-3-24(4-2)19-14-15-25(24)17-20(16-19)27-23(26)22-13-9-8-12-21(22)18-10-6-5-7-11-18;/h5-7,10-12,19-20,22H,3-4,8-9,13-17H2,1-2H3;1H