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

Systemtic Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [(3R)-quinuclidin-1-ium-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-quinuclidin-1-ium-3-yl] ester Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C17H22N2O2/c20-17(21-16-12-18-8-5-14(16)6-9-18)19-10-7-13-3-1-2-4-15(13)11-19/h1-4,14,16H,5-12H2/p+1/t16-/m0/s1