8,8-dimethyl-3-(2-phenylethynyl)-8-azoniabicyclo[3.2.1]oct-3-ene iodide

Systemtic Name: 8,8-dimethyl-3-(2-phenylethynyl)-8-azoniabicyclo[3.2.1]oct-3-ene iodide Openeye Name: 8,8-dimethyl-3-(2-phenylethynyl)-8-azoniabicyclo[3.2.1]oct-3-ene iodide CAS Name: 8,8-dimethyl-3-(2-phenylethynyl)-8-azoniabicyclo[3.2.1]oct-3-ene iodide IUPAC Name: 8,8-dimethyl-3-(2-phenylethynyl)-8-azoniabicyclo[3.2.1]oct-3-ene iodide Traditional Name: 8,8-dimethyl-3-(2-phenylethynyl)-8-azoniabicyclo[3.2.1]oct-3-ene iodide Formula: C17H20IN MolecularWeight: 365.25187

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1C=C(C2)C#CC3=CC=CC=C3)C.[I-]

Isomeric SMILES

C[N+]1(C2CCC1C=C(C2)C#CC3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C17H20N.HI/c1-18(2)16-10-11-17(18)13-15(12-16)9-8-14-6-4-3-5-7-14;/h3-7,12,16-17H,10-11,13H2,1-2H3;1H/q+1;/p-1