9,9-dimethyl-6-phenylmethoxy-3-oxonia-9-azoniabicyclo[3.3.1]nonane iodide

Systemtic Name: 9,9-dimethyl-6-phenylmethoxy-3-oxonia-9-azoniabicyclo[3.3.1]nonane iodide Openeye Name: 6-benzyloxy-9,9-dimethyl-3-oxonia-9-azoniabicyclo[3.3.1]nonane iodide CAS Name: 9,9-dimethyl-6-phenylmethoxy-3-oxonia-9-azoniabicyclo[3.3.1]nonane iodide IUPAC Name: 9,9-dimethyl-6-phenylmethoxy-3-oxonia-9-azoniabicyclo[3.3.1]nonane iodide Traditional Name: 6-benzoxy-9,9-dimethyl-3-oxonia-9-azoniabicyclo[3.3.1]nonane iodide Formula: C16H25INO2+ MolecularWeight: 390.27967

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC(C1C[OH+]C2)OCC3=CC=CC=C3)C.[I-]

Isomeric SMILES

C[N+]1(C2CCC(C1C[OH+]C2)OCC3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C16H24NO2.HI/c1-17(2)14-8-9-16(15(17)12-18-11-14)19-10-13-6-4-3-5-7-13;/h3-7,14-16H,8-12H2,1-2H3;1H/q+1;