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

Systemtic Name: (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate iodide Openeye Name: (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl 2-cycloheptyl-2-hydroxy-2-phenyl-acetate iodide CAS Name: 2-cycloheptyl-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-cycloheptyl-2-hydroxy-2-phenylacetate iodide Traditional Name: 2-cycloheptyl-2-hydroxy-2-phenyl-acetic acid (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl ester iodide Formula: C25H38INO3 MolecularWeight: 527.47859

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CCC(C1)C2COC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)C.[I-]

Isomeric SMILES

C[N+]1(CC2CCC(C1)C2COC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)C.[I-]

InChI

InChI=1S/C25H38NO3.HI/c1-26(2)16-19-14-15-20(17-26)23(19)18-29-24(27)25(28,22-12-8-5-9-13-22)21-10-6-3-4-7-11-21;/h5,8-9,12-13,19-21,23,28H,3-4,6-7,10-11,14-18H2,1-2H3;1H/q+1;/p-1