(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate chloride

Systemtic Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate chloride Openeye Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenyl-acetate chloride CAS Name: 2-hydroxy-2,2-diphenylacetic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride IUPAC Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate chloride Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C[NH+]1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C22H25NO3.ClH/c1-23-18-12-13-19(23)15-20(14-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-20,25H,12-15H2,1H3;1H