3-(1-benzofuran-2-yl)-1-methyl-1-azoniabicyclo[2.2.2]octane

Systemtic Name: 3-(1-benzofuran-2-yl)-1-methyl-1-azoniabicyclo[2.2.2]octane Openeye Name: 3-(benzofuran-2-yl)-1-methyl-quinuclidin-1-ium CAS Name: 3-(2-benzofuranyl)-1-methyl-1-azoniabicyclo[2.2.2]octane IUPAC Name: 3-(1-benzofuran-2-yl)-1-methyl-1-azoniabicyclo[2.2.2]octane Traditional Name: 3-(benzofuran-2-yl)-1-methyl-quinuclidin-1-ium Formula: C16H20NO+ MolecularWeight: 242.3361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20NO/c1-17-8-6-12(7-9-17)14(11-17)16-10-13-4-2-3-5-15(13)18-16/h2-5,10,12,14H,6-9,11H2,1H3/q+1