1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1,2-diphenyl-ethanol chloride

Systemtic Name: 1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1,2-diphenyl-ethanol chloride Openeye Name: 1,2-diphenyl-1-quinuclidin-1-ium-3-yl-ethanol chloride CAS Name: 1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1,2-diphenylethanol chloride IUPAC Name: 1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1,2-diphenylethanol chloride Traditional Name: 1,2-diphenyl-1-quinuclidin-1-ium-3-yl-ethanol chloride Formula: C21H26ClNO MolecularWeight: 343.89024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO.ClH/c23-21(19-9-5-2-6-10-19,15-17-7-3-1-4-8-17)20-16-22-13-11-18(20)12-14-22;/h1-10,18,20,23H,11-16H2;1H