5-(1-azoniabicyclo[2.2.2]octan-1-ylmethyl)-3,3-diphenyl-oxolan-2-one bromide

Systemtic Name: 5-(1-azoniabicyclo[2.2.2]octan-1-ylmethyl)-3,3-diphenyl-oxolan-2-one bromide Openeye Name: 3,3-diphenyl-5-(quinuclidin-1-ium-1-ylmethyl)tetrahydrofuran-2-one bromide CAS Name: 5-(1-azoniabicyclo[2.2.2]octan-1-ylmethyl)-3,3-diphenyl-2-oxolanone bromide IUPAC Name: 5-(1-azoniabicyclo[2.2.2]octan-1-ylmethyl)-3,3-diphenyloxolan-2-one bromide Traditional Name: 3,3-diphenyl-5-(quinuclidin-1-ium-1-ylmethyl)tetrahydrofuran-2-one bromide Formula: C24H28BrNO2 MolecularWeight: 442.38862

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2)CC3CC(C(=O)O3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1CC2)CC3CC(C(=O)O3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C24H28NO2.BrH/c26-23-24(20-7-3-1-4-8-20,21-9-5-2-6-10-21)17-22(27-23)18-25-14-11-19(12-15-25)13-16-25;/h1-10,19,22H,11-18H2;1H/q+1;/p-1