3-[pyridin-1-ium-4-yl(pyridin-3-ylmethyl)amino]propanethioamide

Systemtic Name: 3-[pyridin-1-ium-4-yl(pyridin-3-ylmethyl)amino]propanethioamide Openeye Name: 3-[pyridin-1-ium-4-yl(3-pyridylmethyl)amino]propanethioamide CAS Name: 3-[4-pyridin-1-iumyl(3-pyridinylmethyl)amino]propanethioamide IUPAC Name: 3-[pyridin-1-ium-4-yl(pyridin-3-ylmethyl)amino]propanethioamide Traditional Name: 3-[pyridin-1-ium-4-yl(3-pyridylmethyl)amino]thiopropionamide Formula: C14H17N4S+ MolecularWeight: 273.37658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC(=S)N)C2=CC=[NH+]C=C2

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC(=S)N)C2=CC=[NH+]C=C2

InChI

InChI=1S/C14H16N4S/c15-14(19)5-9-18(13-3-7-16-8-4-13)11-12-2-1-6-17-10-12/h1-4,6-8,10H,5,9,11H2,(H2,15,19)/p+1