1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-(4-phenylpiperazin-2-yl)propanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-(4-phenylpiperazin-2-yl)propanoate Openeye Name: quinuclidin-3-yl 2-hydroxy-2-(4-phenylpiperazin-2-yl)propanoate CAS Name: 2-hydroxy-2-(4-phenyl-2-piperazinyl)propanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-(4-phenylpiperazin-2-yl)propanoate Traditional Name: 2-hydroxy-2-(4-phenylpiperazin-2-yl)propionic acid quinuclidin-3-yl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(CCN1)C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O

Isomeric SMILES

CC(C1CN(CCN1)C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O

InChI

InChI=1S/C20H29N3O3/c1-20(25,19(24)26-17-13-22-10-7-15(17)8-11-22)18-14-23(12-9-21-18)16-5-3-2-4-6-16/h2-6,15,17-18,21,25H,7-14H2,1H3