2-[1-(2-oxidanylidene-1-pyrrolidin-1-yl-ethyl)pyridin-1-ium-2-yl]ethanenitrile chloride

Systemtic Name: 2-[1-(2-oxidanylidene-1-pyrrolidin-1-yl-ethyl)pyridin-1-ium-2-yl]ethanenitrile chloride Openeye Name: 2-[1-(2-oxo-1-pyrrolidin-1-yl-ethyl)pyridin-1-ium-2-yl]acetonitrile chloride CAS Name: 2-[1-[2-oxo-1-(1-pyrrolidinyl)ethyl]-2-pyridin-1-iumyl]acetonitrile chloride IUPAC Name: 2-[1-(2-oxo-1-pyrrolidin-1-ylethyl)pyridin-1-ium-2-yl]acetonitrile chloride Traditional Name: 2-[1-(2-keto-1-pyrrolidino-ethyl)pyridin-1-ium-2-yl]acetonitrile chloride Formula: C13H16ClN3O MolecularWeight: 265.73864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C=O)[N+]2=CC=CC=C2CC#N.[Cl-]

Isomeric SMILES

C1CCN(C1)C(C=O)[N+]2=CC=CC=C2CC#N.[Cl-]

InChI

InChI=1S/C13H16N3O.ClH/c14-7-6-12-5-1-2-10-16(12)13(11-17)15-8-3-4-9-15;/h1-2,5,10-11,13H,3-4,6,8-9H2;1H/q+1;/p-1