[(3R)-1-[2-oxidanylidene-2-(pyrimidin-4-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-phenyl-2-thiophen-3-yl-ethanoate

Systemtic Name: [(3R)-1-[2-oxidanylidene-2-(pyrimidin-4-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-phenyl-2-thiophen-3-yl-ethanoate Openeye Name: [(3R)-1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]quinuclidin-1-ium-3-yl] 2-hydroxy-2-phenyl-2-(3-thienyl)acetate CAS Name: 2-hydroxy-2-phenyl-2-(3-thiophenyl)acetic acid [(3R)-1-[2-oxo-2-(4-pyrimidinylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2-phenyl-2-thiophen-3-ylacetate Traditional Name: 2-hydroxy-2-phenyl-2-(3-thienyl)acetic acid [(3R)-1-[2-keto-2-(4-pyrimidylamino)ethyl]quinuclidin-1-ium-3-yl] ester Formula: C25H27N4O4S+ MolecularWeight: 479.57128

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=CSC=C4)O)CC(=O)NC5=NC=NC=C5

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CC=C3)(C4=CSC=C4)O)CC(=O)NC5=NC=NC=C5

InChI

InChI=1S/C25H26N4O4S/c30-23(28-22-6-10-26-17-27-22)15-29-11-7-18(8-12-29)21(14-29)33-24(31)25(32,20-9-13-34-16-20)19-4-2-1-3-5-19/h1-6,9-10,13,16-18,21,32H,7-8,11-12,14-15H2/p+1/t18?,21-,25?,29?/m0/s1