3-[[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylamino]benzenecarboximidothioate

Systemtic Name: 3-[[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylamino]benzenecarboximidothioate Openeye Name: 3-[[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylamino]benzenecarboximidothioate CAS Name: 3-[[(2S)-2-methyl-1-piperidin-1-iumyl]sulfonylamino]benzenecarboximidothioate IUPAC Name: 3-[[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylamino]benzenecarboximidothioate Traditional Name: 3-[[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylamino]benzenecarboximidothioate Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1S(=O)(=O)NC2=CC=CC(=C2)C(=N)[S-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1S(=O)(=O)NC2=CC=CC(=C2)C(=N)[S-]

InChI

InChI=1S/C13H19N3O2S2/c1-10-5-2-3-8-16(10)20(17,18)15-12-7-4-6-11(9-12)13(14)19/h4,6-7,9-10,15H,2-3,5,8H2,1H3,(H2,14,19)/t10-/m0/s1