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

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

Systemtic Name:1-butyl-3-oxidanyl-1-azoniabicyclo[2.2.2]octane-3-carbonitrile bromide
Openeye Name:1-butyl-3-hydroxy-quinuclidin-1-ium-3-carbonitrile bromide
CAS Name:1-butyl-3-hydroxy-1-azoniabicyclo[2.2.2]octane-3-carbonitrile bromide
IUPAC Name:1-butyl-3-hydroxy-1-azoniabicyclo[2.2.2]octane-3-carbonitrile bromide
Traditional Name:1-butyl-3-hydroxy-quinuclidin-1-ium-3-carbonitrile bromide
Formula: C12H21BrN2O
MolecularWeight: 289.21194
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H21N2O.BrH/c1-2-3-6-14-7-4-11(5-8-14)12(15,9-13)10-14;/h11,15H,2-8,10H2,1H3;1H/q+1;/p-1


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