2-[(4-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octane chloride

Systemtic Name: 2-[(4-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octane chloride Openeye Name: 2-[(4-benzyloxyphenyl)methyl]quinuclidin-1-ium chloride CAS Name: 2-[(4-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octane chloride IUPAC Name: 2-[(4-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octane chloride Traditional Name: 2-(4-benzoxybenzyl)quinuclidin-1-ium chloride Formula: C21H26ClNO MolecularWeight: 343.89024

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1CC2CC3=CC=C(C=C3)OCC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1C[NH+]2CCC1CC2CC3=CC=C(C=C3)OCC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H25NO.ClH/c1-2-4-19(5-3-1)16-23-21-8-6-17(7-9-21)14-20-15-18-10-12-22(20)13-11-18;/h1-9,18,20H,10-16H2;1H