2-(3-cyano-6-pyridin-1-ium-3-yl-pyridin-1-ium-2-yl)sulfanylpropanoate

Systemtic Name: 2-(3-cyano-6-pyridin-1-ium-3-yl-pyridin-1-ium-2-yl)sulfanylpropanoate Openeye Name: 2-(3-cyano-6-pyridin-1-ium-3-yl-pyridin-1-ium-2-yl)sulfanylpropanoate CAS Name: 2-[[3-cyano-6-(3-pyridin-1-iumyl)-2-pyridin-1-iumyl]thio]propanoate IUPAC Name: 2-(3-cyano-6-pyridin-1-ium-3-ylpyridin-1-ium-2-yl)sulfanylpropanoate Traditional Name: 2-[(3-cyano-6-pyridin-1-ium-3-yl-pyridin-1-ium-2-yl)thio]propionate Formula: C14H12N3O2S+ MolecularWeight: 286.32898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=C(C=CC(=[NH+]1)C2=C[NH+]=CC=C2)C#N

Isomeric SMILES

CC(C(=O)[O-])SC1=C(C=CC(=[NH+]1)C2=C[NH+]=CC=C2)C#N

InChI

InChI=1S/C14H11N3O2S/c1-9(14(18)19)20-13-10(7-15)4-5-12(17-13)11-3-2-6-16-8-11/h2-6,8-9H,1H3,(H,18,19)/p+1