1-methyl-3-oxidanyl-1-azoniabicyclo[2.2.2]octane-3-carbonitrile bromide

Systemtic Name: 1-methyl-3-oxidanyl-1-azoniabicyclo[2.2.2]octane-3-carbonitrile bromide Openeye Name: 3-hydroxy-1-methyl-quinuclidin-1-ium-3-carbonitrile bromide CAS Name: 3-hydroxy-1-methyl-1-azoniabicyclo[2.2.2]octane-3-carbonitrile bromide IUPAC Name: 3-hydroxy-1-methyl-1-azoniabicyclo[2.2.2]octane-3-carbonitrile bromide Traditional Name: 3-hydroxy-1-methyl-quinuclidin-1-ium-3-carbonitrile bromide Formula: C9H15BrN2O MolecularWeight: 247.1322

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)(C#N)O.[Br-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)(C#N)O.[Br-]

InChI

InChI=1S/C9H15N2O.BrH/c1-11-4-2-8(3-5-11)9(12,6-10)7-11;/h8,12H,2-5,7H2,1H3;1H/q+1;/p-1