[(4R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate iodide

Systemtic Name: [(4R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: [(4R)-3-ethyl-3-methyl-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 [(4R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester iodide IUPAC Name: [(4R)-3-ethyl-3-methyl-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 [(4R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester iodide Formula: C24H36INO3 MolecularWeight: 513.45201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36NO3.HI/c1-3-25(2)17-18-15-16-21(25)22(18)28-23(26)24(27,20-13-9-6-10-14-20)19-11-7-4-5-8-12-19;/h6,9-10,13-14,18-19,21-22,27H,3-5,7-8,11-12,15-17H2,1-2H3;1H/q+1;/p-1/t18?,21-,22?,24?,25?;/m1./s1