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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC#N)C3=CC=CC=[NH+]3)O

Isomeric SMILES

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC#N)C3=CC=CC=[NH+]3)O

InChI

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