(7,7-dimethyl-7-azoniabicyclo[2.2.1]heptan-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (7,7-dimethyl-7-azoniabicyclo[2.2.1]heptan-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (7,7-dimethyl-7-azoniabicyclo[2.2.1]heptan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (7,7-dimethyl-7-azoniabicyclo[2.2.1]heptan-3-yl) ester IUPAC Name: (7,7-dimethyl-7-azoniabicyclo[2.2.1]heptan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (7,7-dimethyl-7-azoniabicyclo[2.2.1]heptan-3-yl) ester Formula: C21H30NO3+ MolecularWeight: 344.4678

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1C(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O)C

Isomeric SMILES

C[N+]1(C2CCC1C(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O)C

InChI

InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1