1,4-bis(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one

Systemtic Name: 1,4-bis(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: 1,4-dibenzylquinuclidin-1-ium-3-one CAS Name: 1,4-bis(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: 1,4-dibenzyl-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: 1,4-dibenzylquinuclidin-1-ium-3-one Formula: C21H24NO+ MolecularWeight: 306.42136

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(C(=O)C2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[N+]2(CCC1(C(=O)C2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24NO/c23-20-17-22(16-19-9-5-2-6-10-19)13-11-21(20,12-14-22)15-18-7-3-1-4-8-18/h1-10H,11-17H2/q+1