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

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl benzenesulfonate chloride Openeye Name: quinuclidin-1-ium-3-yl benzenesulfonate chloride CAS Name: benzenesulfonic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl benzenesulfonate chloride Traditional Name: benzenesulfonic acid quinuclidin-1-ium-3-yl ester chloride Formula: C13H18ClNO3S MolecularWeight: 303.80492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S.ClH/c15-18(16,12-4-2-1-3-5-12)17-13-10-14-8-6-11(13)7-9-14;/h1-5,11,13H,6-10H2;1H