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

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanylidene-2-phenyl-ethanoate iodide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxo-2-phenyl-acetate iodide CAS Name: 2-oxo-2-phenylacetic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester iodide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxo-2-phenylacetate iodide Traditional Name: 2-keto-2-phenyl-acetic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester iodide Formula: C17H22INO3 MolecularWeight: 415.26595

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(=O)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(=O)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C17H22NO3.HI/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-15H,8-11H2,1-2H3;1H/q+1;/p-1