2-[[4-(2-phenoxyethoxy)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-3-one

Systemtic Name: 2-[[4-(2-phenoxyethoxy)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: 2-[[4-(2-phenoxyethoxy)phenyl]methyl]quinuclidin-1-ium-3-one CAS Name: 2-[[4-(2-phenoxyethoxy)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: 2-[[4-(2-phenoxyethoxy)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: 2-[4-(2-phenoxyethoxy)benzyl]quinuclidin-1-ium-3-one Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(=O)C2CC3=CC=C(C=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]2CCC1C(=O)C2CC3=CC=C(C=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C22H25NO3/c24-22-18-10-12-23(13-11-18)21(22)16-17-6-8-20(9-7-17)26-15-14-25-19-4-2-1-3-5-19/h1-9,18,21H,10-16H2/p+1