3-(1-benzofuran-2-yl)-1-methyl-1-azoniabicyclo[2.2.2]oct-2-ene iodide

Systemtic Name: 3-(1-benzofuran-2-yl)-1-methyl-1-azoniabicyclo[2.2.2]oct-2-ene iodide Openeye Name: 3-(benzofuran-2-yl)-1-methyl-1-azoniabicyclo[2.2.2]oct-2-ene iodide CAS Name: 3-(2-benzofuranyl)-1-methyl-1-azoniabicyclo[2.2.2]oct-2-ene iodide IUPAC Name: 3-(1-benzofuran-2-yl)-1-methyl-1-azoniabicyclo[2.2.2]oct-2-ene iodide Traditional Name: 3-(benzofuran-2-yl)-1-methyl-1-azoniabicyclo[2.2.2]oct-2-ene iodide Formula: C16H18INO MolecularWeight: 367.22469

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(=C2)C3=CC4=CC=CC=C4O3.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)C(=C2)C3=CC4=CC=CC=C4O3.[I-]

InChI

InChI=1S/C16H18NO.HI/c1-17-8-6-12(7-9-17)14(11-17)16-10-13-4-2-3-5-15(13)18-16;/h2-5,10-12H,6-9H2,1H3;1H/q+1;/p-1