2-(3-oxidanylidene-3-phenyl-propyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride

Systemtic Name: 2-(3-oxidanylidene-3-phenyl-propyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride Openeye Name: 2-(3-oxo-3-phenyl-propyl)quinuclidin-1-ium-3-one chloride CAS Name: 2-(3-oxo-3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride IUPAC Name: 2-(3-oxo-3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride Traditional Name: 2-(3-keto-3-phenyl-propyl)quinuclidin-1-ium-3-one chloride Formula: C16H20ClNO2 MolecularWeight: 293.7885

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(=O)C2CCC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1C[NH+]2CCC1C(=O)C2CCC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H19NO2.ClH/c18-15(12-4-2-1-3-5-12)7-6-14-16(19)13-8-10-17(14)11-9-13;/h1-5,13-14H,6-11H2;1H