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

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloranyl-2-methoxy-3-tributylstannyl-benzamide Openeye Name: 5-chloro-2-methoxy-N-[(3S)-quinuclidin-3-yl]-3-tributylstannyl-benzamide CAS Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2-methoxy-3-tributylstannylbenzamide IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2-methoxy-3-tributylstannylbenzamide Traditional Name: 5-chloro-2-methoxy-N-[(3S)-quinuclidin-3-yl]-3-tributylstannyl-benzamide Formula: C27H45ClN2O2Sn MolecularWeight: 583.8214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN2O2.3C4H9.Sn/c1-20-14-3-2-11(16)8-12(14)15(19)17-13-9-18-6-4-10(13)5-7-18;3*1-3-4-2;/h2,8,10,13H,4-7,9H2,1H3,(H,17,19);3*1,3-4H2,2H3;/t13-;;;;/m1..../s1