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

Systemtic Name: [(3R)-1-oxidanidyl-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [(3R)-1-oxidoquinuclidin-1-ium-3-yl] 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-1-oxidoquinuclidin-1-ium-3-yl] ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5)[O-]

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5)[O-]

InChI

InChI=1S/C23H26N2O3/c26-23(28-21-16-25(27)14-11-18(21)12-15-25)24-13-10-17-6-4-5-9-20(17)22(24)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t18?,21-,22?,25?/m0/s1