(9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride

Systemtic Name: (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) ester chloride IUPAC Name: (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) ester chloride Formula: C22H32ClNO3 MolecularWeight: 393.94738

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCCC1CC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C[NH+]1C2CCCC1CC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O.[Cl-]

InChI

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