1-azoniabicyclo[2.2.2]octan-3-yl 3-phenylpropanoate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl 3-phenylpropanoate chloride Openeye Name: quinuclidin-1-ium-3-yl 3-phenylpropanoate chloride CAS Name: 3-phenylpropanoic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl 3-phenylpropanoate chloride Traditional Name: 3-phenylpropionic acid quinuclidin-1-ium-3-yl ester chloride Formula: C16H22ClNO2 MolecularWeight: 295.80438

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC(=O)CCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1C[NH+]2CCC1C(C2)OC(=O)CCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H21NO2.ClH/c18-16(7-6-13-4-2-1-3-5-13)19-15-12-17-10-8-14(15)9-11-17;/h1-5,14-15H,6-12H2;1H