1-azabicyclo[2.2.2]octan-3-yl 2-imidazol-1-yl-3-oxidanyl-2-thiophen-3-yl-propanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-imidazol-1-yl-3-oxidanyl-2-thiophen-3-yl-propanoate Openeye Name: quinuclidin-3-yl 3-hydroxy-2-imidazol-1-yl-2-(3-thienyl)propanoate CAS Name: 3-hydroxy-2-(1-imidazolyl)-2-(3-thiophenyl)propanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-imidazol-1-yl-2-thiophen-3-ylpropanoate Traditional Name: 3-hydroxy-2-imidazol-1-yl-2-(3-thienyl)propionic acid quinuclidin-3-yl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CSC=C3)N4C=CN=C4

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CSC=C3)N4C=CN=C4

InChI

InChI=1S/C17H21N3O3S/c21-11-17(14-3-8-24-10-14,20-7-4-18-12-20)16(22)23-15-9-19-5-1-13(15)2-6-19/h3-4,7-8,10,12-13,15,21H,1-2,5-6,9,11H2