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

Systemtic Name: 3-[phenyl(pyridin-1-ium-4-yl)amino]propanethioamide Openeye Name: 3-(N-pyridin-1-ium-4-ylanilino)propanethioamide CAS Name: 3-[N-(4-pyridin-1-iumyl)anilino]propanethioamide IUPAC Name: 3-(N-pyridin-1-ium-4-ylanilino)propanethioamide Traditional Name: 3-(N-pyridin-1-ium-4-ylanilino)thiopropionamide Formula: C14H16N3S+ MolecularWeight: 258.36194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3S/c15-14(18)8-11-17(12-4-2-1-3-5-12)13-6-9-16-10-7-13/h1-7,9-10H,8,11H2,(H2,15,18)/p+1