[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate

Systemtic Name: [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate Openeye Name: [(3R)-1-methylquinuclidin-1-ium-3-yl] 1-phenylcycloheptanecarboxylate CAS Name: 1-phenyl-1-cycloheptanecarboxylic acid [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate Traditional Name: 1-phenylcycloheptanecarboxylic acid [(3R)-1-methylquinuclidin-1-ium-3-yl] ester Formula: C22H32NO2+ MolecularWeight: 342.49498

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)C3(CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

C[N+]12CCC(CC1)[C@H](C2)OC(=O)C3(CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H32NO2/c1-23-15-11-18(12-16-23)20(17-23)25-21(24)22(13-7-2-3-8-14-22)19-9-5-4-6-10-19/h4-6,9-10,18,20H,2-3,7-8,11-17H2,1H3/q+1/t18?,20-,23?/m0/s1