1-azoniabicyclo[2.2.2]octan-3-yl 2-phenylbutanoate

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-phenylbutanoate Openeye Name: quinuclidin-1-ium-3-yl 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid quinuclidin-1-ium-3-yl ester Formula: C17H24NO2+ MolecularWeight: 274.37796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC2C[NH+]3CCC2CC3

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2C[NH+]3CCC2CC3

InChI

InChI=1S/C17H23NO2/c1-2-15(13-6-4-3-5-7-13)17(19)20-16-12-18-10-8-14(16)9-11-18/h3-7,14-16H,2,8-12H2,1H3/p+1