(2R)-2-[(4-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one

Systemtic Name: (2R)-2-[(4-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: (2R)-2-[(4-benzyloxyphenyl)methyl]quinuclidin-1-ium-3-one CAS Name: (2R)-2-[(4-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: (2R)-2-[(4-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: (2R)-2-(4-benzoxybenzyl)quinuclidin-1-ium-3-one Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(=O)C2CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]2CCC1C(=O)[C@H]2CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H23NO2/c23-21-18-10-12-22(13-11-18)20(21)14-16-6-8-19(9-7-16)24-15-17-4-2-1-3-5-17/h1-9,18,20H,10-15H2/p+1/t20-/m1/s1