1-azoniabicyclo[2.2.2]octan-1-ylmethyl 2-methylbutanoate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-1-ylmethyl 2-methylbutanoate chloride Openeye Name: quinuclidin-1-ium-1-ylmethyl 2-methylbutanoate chloride CAS Name: 2-methylbutanoic acid 1-azoniabicyclo[2.2.2]octan-1-ylmethyl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-1-ylmethyl 2-methylbutanoate chloride Traditional Name: 2-methylbutyric acid quinuclidin-1-ium-1-ylmethyl ester chloride Formula: C13H24ClNO2 MolecularWeight: 261.78816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC[N+]12CCC(CC1)CC2.[Cl-]

Isomeric SMILES

CCC(C)C(=O)OC[N+]12CCC(CC1)CC2.[Cl-]

InChI

InChI=1S/C13H24NO2.ClH/c1-3-11(2)13(15)16-10-14-7-4-12(5-8-14)6-9-14;/h11-12H,3-10H2,1-2H3;1H/q+1;/p-1