1-azoniabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2,3-diphenyl-propanoate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2,3-diphenyl-propanoate chloride Openeye Name: quinuclidin-1-ium-3-yl 2-hydroxy-2,3-diphenyl-propanoate chloride CAS Name: 2-hydroxy-2,3-diphenylpropanoic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,3-diphenylpropanoate chloride Traditional Name: 2-hydroxy-2,3-diphenyl-propionic acid quinuclidin-1-ium-3-yl ester chloride Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC(=O)C(CC3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1C[NH+]2CCC1C(C2)OC(=O)C(CC3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C22H25NO3.ClH/c24-21(26-20-16-23-13-11-18(20)12-14-23)22(25,19-9-5-2-6-10-19)15-17-7-3-1-4-8-17;/h1-10,18,20,25H,11-16H2;1H