methyl(pyridin-3-yl)azanium; N-(pyridin-3-ylmethyl)carbamothioate

Systemtic Name: methyl(pyridin-3-yl)azanium; N-(pyridin-3-ylmethyl)carbamothioate Openeye Name: methyl(3-pyridyl)ammonium; N-(3-pyridylmethyl)carbamothioate CAS Name: methyl(3-pyridinyl)ammonium; N-(3-pyridinylmethyl)carbamothioate IUPAC Name: methyl(pyridin-3-yl)azanium; N-(pyridin-3-ylmethyl)carbamothioate Traditional Name: methyl(3-pyridyl)ammonium; N-(3-pyridylmethyl)thiocarbamate Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=CN=CC=C1.C1=CC(=CN=C1)CNC(=S)[O-]

Isomeric SMILES

C[NH2+]C1=CN=CC=C1.C1=CC(=CN=C1)CNC(=S)[O-]

InChI

InChI=1S/C7H8N2OS.C6H8N2/c10-7(11)9-5-6-2-1-3-8-4-6;1-7-6-3-2-4-8-5-6/h1-4H,5H2,(H2,9,10,11);2-5,7H,1H3