2-[4-ethanoyl-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethanenitrile

Systemtic Name: 2-[4-ethanoyl-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethanenitrile Openeye Name: 2-(4-acetyl-2,3-dioxo-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl)acetonitrile CAS Name: 2-[4-acetyl-2,3-dioxo-5-(3-pyridin-1-iumyl)-1-pyrrolidinyl]acetonitrile IUPAC Name: 2-(4-acetyl-2,3-dioxo-5-pyridin-1-ium-3-ylpyrrolidin-1-yl)acetonitrile Traditional Name: 2-(4-acetyl-2,3-diketo-5-pyridin-1-ium-3-yl-pyrrolidino)acetonitrile Formula: C13H12N3O3+ MolecularWeight: 258.25268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(N(C(=O)C1=O)CC#N)C2=C[NH+]=CC=C2

Isomeric SMILES

CC(=O)C1C(N(C(=O)C1=O)CC#N)C2=C[NH+]=CC=C2

InChI

InChI=1S/C13H11N3O3/c1-8(17)10-11(9-3-2-5-15-7-9)16(6-4-14)13(19)12(10)18/h2-3,5,7,10-11H,6H2,1H3/p+1