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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 3-(4-methylpiperazin-1-yl)-2-oxidanyl-2-phenyl-propanoate Openeye Name: quinuclidin-3-yl 2-hydroxy-3-(4-methylpiperazin-1-yl)-2-phenyl-propanoate CAS Name: 2-hydroxy-3-(4-methyl-1-piperazinyl)-2-phenylpropanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-3-(4-methylpiperazin-1-yl)-2-phenylpropanoate Traditional Name: 2-hydroxy-3-(4-methylpiperazino)-2-phenyl-propionic acid quinuclidin-3-yl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O

Isomeric SMILES

CN1CCN(CC1)CC(C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O

InChI

InChI=1S/C21H31N3O3/c1-22-11-13-24(14-12-22)16-21(26,18-5-3-2-4-6-18)20(25)27-19-15-23-9-7-17(19)8-10-23/h2-6,17,19,26H,7-16H2,1H3