3-(1-benzofuran-2-yl)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol iodide

Systemtic Name: 3-(1-benzofuran-2-yl)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol iodide Openeye Name: 3-(benzofuran-2-yl)-1-methyl-quinuclidin-1-ium-3-ol iodide CAS Name: 3-(2-benzofuranyl)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol iodide IUPAC Name: 3-(1-benzofuran-2-yl)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol iodide Traditional Name: 3-(benzofuran-2-yl)-1-methyl-quinuclidin-1-ium-3-ol iodide Formula: C16H20INO2 MolecularWeight: 385.23997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20NO2.HI/c1-17-8-6-13(7-9-17)16(18,11-17)15-10-12-4-2-3-5-14(12)19-15;/h2-5,10,13,18H,6-9,11H2,1H3;1H/q+1;/p-1