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

Systemtic Name: 3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1-azoniabicyclo[2.2.2]octane Openeye Name: 3-[[4-(2-phenoxyethoxy)phenyl]methyl]quinuclidin-1-ium CAS Name: 3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1-azoniabicyclo[2.2.2]octane IUPAC Name: 3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1-azoniabicyclo[2.2.2]octane Traditional Name: 3-[4-(2-phenoxyethoxy)benzyl]quinuclidin-1-ium Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)CC3=CC=C(C=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]2CCC1C(C2)CC3=CC=C(C=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C22H27NO2/c1-2-4-21(5-3-1)24-14-15-25-22-8-6-18(7-9-22)16-20-17-23-12-10-19(20)11-13-23/h1-9,19-20H,10-17H2/p+1