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

Systemtic Name: 1-butyl-3-oxidanyl-1-azoniabicyclo[2.2.2]octane-3-carbonitrile Openeye Name: 1-butyl-3-hydroxy-quinuclidin-1-ium-3-carbonitrile CAS Name: 1-butyl-3-hydroxy-1-azoniabicyclo[2.2.2]octane-3-carbonitrile IUPAC Name: 1-butyl-3-hydroxy-1-azoniabicyclo[2.2.2]octane-3-carbonitrile Traditional Name: 1-butyl-3-hydroxy-quinuclidin-1-ium-3-carbonitrile Formula: C12H21N2O+ MolecularWeight: 209.30794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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