(3-cyano-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate chloride

Systemtic Name: (3-cyano-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate chloride Openeye Name: (3-cyanoquinuclidin-1-ium-3-yl) benzoate chloride CAS Name: benzoic acid (3-cyano-1-azoniabicyclo[2.2.2]octan-3-yl) ester chloride IUPAC Name: (3-cyano-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate chloride Traditional Name: benzoic acid (3-cyanoquinuclidin-1-ium-3-yl) ester chloride Formula: C15H17ClN2O2 MolecularWeight: 292.76068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O2.ClH/c16-10-15(11-17-8-6-13(15)7-9-17)19-14(18)12-4-2-1-3-5-12;/h1-5,13H,6-9,11H2;1H