2-(furan-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride

Systemtic Name: 2-(furan-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride Openeye Name: 2-(2-furylmethyl)quinuclidin-1-ium-3-one chloride CAS Name: 2-(2-furanylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride IUPAC Name: 2-(furan-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride Traditional Name: 2-(2-furfuryl)quinuclidin-1-ium-3-one chloride Formula: C12H16ClNO2 MolecularWeight: 241.71394

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(=O)C2CC3=CC=CO3.[Cl-]

Isomeric SMILES

C1C[NH+]2CCC1C(=O)C2CC3=CC=CO3.[Cl-]

InChI

InChI=1S/C12H15NO2.ClH/c14-12-9-3-5-13(6-4-9)11(12)8-10-2-1-7-15-10;/h1-2,7,9,11H,3-6,8H2;1H