[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 4-(4-nitrophenyl)piperazine-1-carboxylate

Systemtic Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 4-(4-nitrophenyl)piperazine-1-carboxylate Openeye Name: [(3R)-quinuclidin-3-yl] 4-(4-nitrophenyl)piperazine-1-carboxylate CAS Name: 4-(4-nitrophenyl)-1-piperazinecarboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 4-(4-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-nitrophenyl)piperazine-1-carboxylic acid [(3R)-quinuclidin-3-yl] ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1[C@H](C2)OC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O4/c23-18(26-17-13-19-7-5-14(17)6-8-19)21-11-9-20(10-12-21)15-1-3-16(4-2-15)22(24)25/h1-4,14,17H,5-13H2/t17-/m0/s1