2-(4-methoxyphenyl)-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one

Systemtic Name: 2-(4-methoxyphenyl)-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: 1-benzyl-2-(4-methoxyphenyl)quinuclidin-1-ium-3-one CAS Name: 2-(4-methoxyphenyl)-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: 1-benzyl-2-(4-methoxyphenyl)-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: 1-benzyl-2-(4-methoxyphenyl)quinuclidin-1-ium-3-one Formula: C21H24NO2+ MolecularWeight: 322.42076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=O)C3CC[N+]2(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=O)C3CC[N+]2(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24NO2/c1-24-19-9-7-17(8-10-19)20-21(23)18-11-13-22(20,14-12-18)15-16-5-3-2-4-6-16/h2-10,18,20H,11-15H2,1H3/q+1