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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-imidazol-1-yl-3-oxidanyl-2-phenyl-propanoate hydrate Openeye Name: quinuclidin-3-yl 3-hydroxy-2-imidazol-1-yl-2-phenyl-propanoate hydrate CAS Name: 3-hydroxy-2-(1-imidazolyl)-2-phenylpropanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester hydrate IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-imidazol-1-yl-2-phenylpropanoate hydrate Traditional Name: 3-hydroxy-2-imidazol-1-yl-2-phenyl-propionic acid quinuclidin-3-yl ester hydrate Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3.H2O/c23-13-19(22-11-8-20-14-22,16-4-2-1-3-5-16)18(24)25-17-12-21-9-6-15(17)7-10-21;/h1-5,8,11,14-15,17,23H,6-7,9-10,12-13H2;1H2