5-iodanyl-2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzofuran-7-carbaldehyde

Systemtic Name: 5-iodanyl-2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzofuran-7-carbaldehyde Openeye Name: 2-(3-hydroxyquinuclidin-3-yl)-5-iodo-benzofuran-7-carbaldehyde CAS Name: 2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)-5-iodo-7-benzofurancarboxaldehyde IUPAC Name: 2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)-5-iodo-1-benzofuran-7-carbaldehyde Traditional Name: 2-(3-hydroxyquinuclidin-3-yl)-5-iodo-benzofuran-7-carbaldehyde Formula: C16H16INO3 MolecularWeight: 397.20761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)(C3=CC4=CC(=CC(=C4O3)C=O)I)O

Isomeric SMILES

C1CN2CCC1C(C2)(C3=CC4=CC(=CC(=C4O3)C=O)I)O

InChI

InChI=1S/C16H16INO3/c17-13-5-10-7-14(21-15(10)11(6-13)8-19)16(20)9-18-3-1-12(16)2-4-18/h5-8,12,20H,1-4,9H2