[(4S)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate iodide

Systemtic Name: [(4S)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: [(4S)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenyl-acetate iodide CAS Name: 2-cycloheptyl-2-hydroxy-2-phenylacetic acid [(4S)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester iodide IUPAC Name: [(4S)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenylacetate iodide Traditional Name: 2-cycloheptyl-2-hydroxy-2-phenyl-acetic acid [(4S)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester iodide Formula: C23H34INO3 MolecularWeight: 499.42543

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CCC1C2OC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)C.[I-]

Isomeric SMILES

C[N+]1(CC2CC[C@H]1C2OC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)C.[I-]

InChI

InChI=1S/C23H34NO3.HI/c1-24(2)16-17-14-15-20(24)21(17)27-22(25)23(26,19-12-8-5-9-13-19)18-10-6-3-4-7-11-18;/h5,8-9,12-13,17-18,20-21,26H,3-4,6-7,10-11,14-16H2,1-2H3;1H/q+1;/p-1/t17?,20-,21?,23?;/m0./s1