[(1R,5S)-3-methyl-3-azoniabicyclo[3.3.1]nonan-9-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1R,5S)-3-methyl-3-azoniabicyclo[3.3.1]nonan-9-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R,5S)-3-methyl-3-azoniabicyclo[3.3.1]nonan-9-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(1R,5S)-3-methyl-3-azoniabicyclo[3.3.1]nonan-9-yl] ester IUPAC Name: [(1R,5S)-3-methyl-3-azoniabicyclo[3.3.1]nonan-9-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(1R,5S)-3-methyl-3-azoniabicyclo[3.3.1]nonan-9-yl] ester Formula: C22H32NO3+ MolecularWeight: 358.49438

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC2CCCC(C1)C2OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

C[NH+]1C[C@H]2CCC[C@@H](C1)C2OC(=O)[C@@](C3CCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C22H31NO3/c1-23-14-16-8-7-9-17(15-23)20(16)26-21(24)22(25,19-12-5-6-13-19)18-10-3-2-4-11-18/h2-4,10-11,16-17,19-20,25H,5-9,12-15H2,1H3/p+1/t16-,17+,20?,22-/m0/s1