1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1-azoniabicyclo[2.2.2]octan-3-one bromide

Systemtic Name: 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1-azoniabicyclo[2.2.2]octan-3-one bromide Openeye Name: 1-[2-(1-adamantyl)-2-oxo-ethyl]quinuclidin-1-ium-3-one bromide CAS Name: 1-[2-(1-adamantyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-one bromide IUPAC Name: 1-[2-(1-adamantyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-one bromide Traditional Name: 1-[2-(1-adamantyl)-2-keto-ethyl]quinuclidin-1-ium-3-one bromide Formula: C19H28BrNO2 MolecularWeight: 382.33512

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(=O)C2)CC(=O)C34CC5CC(C3)CC(C5)C4.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1C(=O)C2)CC(=O)C34CC5CC(C3)CC(C5)C4.[Br-]

InChI

InChI=1S/C19H28NO2.BrH/c21-17-11-20(3-1-16(17)2-4-20)12-18(22)19-8-13-5-14(9-19)7-15(6-13)10-19;/h13-16H,1-12H2;1H/q+1;/p-1