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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-phenyl-3-piperazin-1-yl-propanoate Openeye Name: quinuclidin-3-yl 2-hydroxy-2-phenyl-3-piperazin-1-yl-propanoate CAS Name: 2-hydroxy-2-phenyl-3-(1-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-phenyl-3-piperazin-1-ylpropanoate Traditional Name: 2-hydroxy-2-phenyl-3-piperazino-propionic acid quinuclidin-3-yl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(CN3CCNCC3)(C4=CC=CC=C4)O

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(CN3CCNCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C20H29N3O3/c24-19(26-18-14-22-10-6-16(18)7-11-22)20(25,17-4-2-1-3-5-17)15-23-12-8-21-9-13-23/h1-5,16,18,21,25H,6-15H2