[(3S)-1-azabicyclo[2.2.2]octan-3-yl] 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: [(3S)-quinuclidin-3-yl] 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylate CAS Name: 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid [(3S)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: 4-amino-5-chloro-coumaran-7-carboxylic acid [(3S)-quinuclidin-3-yl] ester Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C3=CC(=C(C4=C3OCC4)N)Cl

Isomeric SMILES

C1CN2CCC1[C@@H](C2)OC(=O)C3=CC(=C(C4=C3OCC4)N)Cl

InChI

InChI=1S/C16H19ClN2O3/c17-12-7-11(15-10(14(12)18)3-6-21-15)16(20)22-13-8-19-4-1-9(13)2-5-19/h7,9,13H,1-6,8,18H2/t13-/m1/s1