[(4R)-3-(cyclohexylmethyl)-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(4R)-3-(cyclohexylmethyl)-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(4R)-3-(cyclohexylmethyl)-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(4R)-3-(cyclohexylmethyl)-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester IUPAC Name: [(4R)-3-(cyclohexylmethyl)-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(4R)-3-(cyclohexylmethyl)-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester Formula: C27H40NO3+ MolecularWeight: 426.6114

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CCC1C2OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O)CC5CCCCC5

Isomeric SMILES

C[N+]1(CC2CC[C@@H]1C2OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O)CC5CCCCC5

InChI

InChI=1S/C27H40NO3/c1-28(18-20-10-4-2-5-11-20)19-21-16-17-24(28)25(21)31-26(29)27(30,23-14-8-9-15-23)22-12-6-3-7-13-22/h3,6-7,12-13,20-21,23-25,30H,2,4-5,8-11,14-19H2,1H3/q+1/t21?,24-,25?,27?,28?/m1/s1