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

Systemtic Name: [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate iodide Openeye Name: [(3R)-1-methylquinuclidin-1-ium-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate iodide CAS Name: (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester iodide IUPAC Name: [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate iodide Traditional Name: (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-1-methylquinuclidin-1-ium-3-yl] ester iodide Formula: C24H29IN2O2 MolecularWeight: 504.40373

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5.[I-]

InChI

InChI=1S/C24H29N2O2.HI/c1-26-15-12-19(13-16-26)22(17-26)28-24(27)25-14-11-18-7-5-6-10-21(18)23(25)20-8-3-2-4-9-20;/h2-10,19,22-23H,11-17H2,1H3;1H/q+1;/p-1/t19?,22-,23-,26?;/m0./s1