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

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-1-ylmethyl 2-methylbutanoate Openeye Name: quinuclidin-1-ium-1-ylmethyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 1-azoniabicyclo[2.2.2]octan-1-ylmethyl ester IUPAC Name: 1-azoniabicyclo[2.2.2]octan-1-ylmethyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid quinuclidin-1-ium-1-ylmethyl ester Formula: C13H24NO2+ MolecularWeight: 226.33516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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