2-pyridin-1-ium-1-ylisoindole-1,3-dione thiocyanate

Systemtic Name: 2-pyridin-1-ium-1-ylisoindole-1,3-dione thiocyanate Openeye Name: 2-pyridin-1-ium-1-ylisoindoline-1,3-dione thiocyanate CAS Name: 2-(1-pyridin-1-iumyl)isoindole-1,3-dione thiocyanate IUPAC Name: 2-pyridin-1-ium-1-ylisoindole-1,3-dione thiocyanate Traditional Name: 2-pyridin-1-ium-1-ylisoindoline-1,3-quinone thiocyanate Formula: C14H9N3O2S MolecularWeight: 283.30516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)N2C(=O)C3=CC=CC=C3C2=O.C(#N)[S-]

Isomeric SMILES

C1=CC=[N+](C=C1)N2C(=O)C3=CC=CC=C3C2=O.C(#N)[S-]

InChI

InChI=1S/C13H9N2O2.CHNS/c16-12-10-6-2-3-7-11(10)13(17)15(12)14-8-4-1-5-9-14;2-1-3/h1-9H;3H/q+1;/p-1