1-azabicyclo[2.2.2]octan-3-yl 3-oxidanyl-2-phenyl-2-(1H-pyrazol-4-yl)propanoate dihydrochloride

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 3-oxidanyl-2-phenyl-2-(1H-pyrazol-4-yl)propanoate dihydrochloride Openeye Name: quinuclidin-3-yl 3-hydroxy-2-phenyl-2-(1H-pyrazol-4-yl)propanoate dihydrochloride CAS Name: 3-hydroxy-2-phenyl-2-(1H-pyrazol-4-yl)propanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester dihydrochloride IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-phenyl-2-(1H-pyrazol-4-yl)propanoate dihydrochloride Traditional Name: 3-hydroxy-2-phenyl-2-(1H-pyrazol-4-yl)propionic acid quinuclidin-3-yl ester dihydrochloride Formula: C19H25Cl2N3O3 MolecularWeight: 414.3261

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CC=CC=C3)C4=CNN=C4.Cl.Cl

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CC=CC=C3)C4=CNN=C4.Cl.Cl

InChI

InChI=1S/C19H23N3O3.2ClH/c23-13-19(16-10-20-21-11-16,15-4-2-1-3-5-15)18(24)25-17-12-22-8-6-14(17)7-9-22;;/h1-5,10-11,14,17,23H,6-9,12-13H2,(H,20,21);2*1H