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

Systemtic Name: [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate Openeye Name: [(3R)-1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] 1-phenylcycloheptanecarboxylate CAS Name: 1-phenyl-1-cycloheptanecarboxylic acid [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate Traditional Name: 1-phenylcycloheptanecarboxylic acid [(3R)-1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] ester Formula: C30H40NO3+ MolecularWeight: 462.6435

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC=CC=C2)C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)(C2=CC=CC=C2)C(=O)O[C@H]3C[N+]4(CCC3CC4)CCCOC5=CC=CC=C5

InChI

InChI=1S/C30H40NO3/c32-29(30(18-9-1-2-10-19-30)26-12-5-3-6-13-26)34-28-24-31(21-16-25(28)17-22-31)20-11-23-33-27-14-7-4-8-15-27/h3-8,12-15,25,28H,1-2,9-11,16-24H2/q+1/t25?,28-,31?/m0/s1