N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dimethoxy-5-tributylstannyl-benzamide

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dimethoxy-5-tributylstannyl-benzamide Openeye Name: 2,3-dimethoxy-N-[(3S)-quinuclidin-3-yl]-5-tributylstannyl-benzamide CAS Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dimethoxy-5-tributylstannylbenzamide IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dimethoxy-5-tributylstannylbenzamide Traditional Name: 2,3-dimethoxy-N-[(3S)-quinuclidin-3-yl]-5-tributylstannyl-benzamide Formula: C28H48N2O3Sn MolecularWeight: 579.40232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)(CCCC)C1=CC(=C(C(=C1)C(=O)NC2CN3CCC2CC3)OC)OC

Isomeric SMILES

CCCC[Sn](CCCC)(CCCC)C1=CC(=C(C(=C1)C(=O)N[C@@H]2CN3CCC2CC3)OC)OC

InChI

InChI=1S/C16H21N2O3.3C4H9.Sn/c1-20-14-5-3-4-12(15(14)21-2)16(19)17-13-10-18-8-6-11(13)7-9-18;3*1-3-4-2;/h4-5,11,13H,6-10H2,1-2H3,(H,17,19);3*1,3-4H2,2H3;/t13-;;;;/m1..../s1