[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [(3R)-quinuclidin-3-yl] 1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-quinuclidin-3-yl] ester Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CS5

Isomeric SMILES

C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CS5

InChI

InChI=1S/C21H24N2O2S/c24-21(25-18-14-22-10-7-16(18)8-11-22)23-12-9-15-4-1-2-5-17(15)20(23)19-6-3-13-26-19/h1-6,13,16,18,20H,7-12,14H2/t18-,20?/m0/s1