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

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-phenylbutanoate chloride Openeye Name: quinuclidin-1-ium-3-yl 2-phenylbutanoate chloride CAS Name: 2-phenylbutanoic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-phenylbutanoate chloride Traditional Name: 2-phenylbutyric acid quinuclidin-1-ium-3-yl ester chloride Formula: C17H24ClNO2 MolecularWeight: 309.83096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO2.ClH/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;1H