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

Systemtic Name: 2-[2,3-bis(oxidanylidene)-4-(phenylcarbonyl)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]ethanenitrile Openeye Name: 2-(4-benzoyl-2,3-dioxo-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl)acetonitrile CAS Name: 2-[4-benzoyl-2,3-dioxo-5-(3-pyridin-1-iumyl)-1-pyrrolidinyl]acetonitrile IUPAC Name: 2-(4-benzoyl-2,3-dioxo-5-pyridin-1-ium-3-ylpyrrolidin-1-yl)acetonitrile Traditional Name: 2-(4-benzoyl-2,3-diketo-5-pyridin-1-ium-3-yl-pyrrolidino)acetonitrile Formula: C18H14N3O3+ MolecularWeight: 320.32206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC#N)C3=C[NH+]=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC#N)C3=C[NH+]=CC=C3

InChI

InChI=1S/C18H13N3O3/c19-8-10-21-15(13-7-4-9-20-11-13)14(17(23)18(21)24)16(22)12-5-2-1-3-6-12/h1-7,9,11,14-15H,10H2/p+1