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

Systemtic Name: 2-[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)pyridin-1-ium-2-yl]ethanenitrile bromide Openeye Name: 2-[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyridin-1-ium-2-yl]acetonitrile bromide CAS Name: 2-[1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-pyridin-1-iumyl]acetonitrile bromide IUPAC Name: 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-1-ium-2-yl]acetonitrile bromide Traditional Name: 2-[1-(2-keto-2-pyrrolidino-ethyl)pyridin-1-ium-2-yl]acetonitrile bromide Formula: C13H16BrN3O MolecularWeight: 310.18964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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