[1-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [1-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [1-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]quinuclidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [1-[2-keto-2-[2-(2-thienyl)ethylamino]ethyl]quinuclidin-1-ium-3-yl] ester Formula: C29H33N2O4S+ MolecularWeight: 505.64832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC(=O)NCCC5=CC=CS5

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC(=O)NCCC5=CC=CS5

InChI

InChI=1S/C29H32N2O4S/c32-27(30-16-13-25-12-7-19-36-25)21-31-17-14-22(15-18-31)26(20-31)35-28(33)29(34,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-12,19,22,26,34H,13-18,20-21H2/p+1