2-(3-oxidanylidene-1-azoniabicyclo[2.2.2]octan-1-yl)ethanenitrile chloride

Systemtic Name: 2-(3-oxidanylidene-1-azoniabicyclo[2.2.2]octan-1-yl)ethanenitrile chloride Openeye Name: 2-(3-oxoquinuclidin-1-ium-1-yl)acetonitrile chloride CAS Name: 2-(3-oxo-1-azoniabicyclo[2.2.2]octan-1-yl)acetonitrile chloride IUPAC Name: 2-(3-oxo-1-azoniabicyclo[2.2.2]octan-1-yl)acetonitrile chloride Traditional Name: 2-(3-ketoquinuclidin-1-ium-1-yl)acetonitrile chloride Formula: C9H13ClN2O MolecularWeight: 200.66532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N2O.ClH/c10-3-6-11-4-1-8(2-5-11)9(12)7-11;/h8H,1-2,4-7H2;1H/q+1;/p-1