(3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate iodide

Systemtic Name: (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate iodide CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl ester iodide IUPAC Name: (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate iodide Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl ester iodide Formula: C24H36INO3 MolecularWeight: 513.45201

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CCC(C1)C2COC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O)C.[I-]

Isomeric SMILES

C[N+]1(CC2CCC(C1)C2COC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O)C.[I-]

InChI

InChI=1S/C24H36NO3.HI/c1-25(2)15-18-13-14-19(16-25)22(18)17-28-23(26)24(27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3,5-6,9-10,18-19,21-22,27H,4,7-8,11-17H2,1-2H3;1H/q+1;/p-1