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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)S(=O)(=O)NC2=CC=CC(=C2)C(=N)[S-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)S(=O)(=O)NC2=CC=CC(=C2)C(=N)[S-]

InChI

InChI=1S/C13H19N3O2S2/c1-10-4-3-7-16(9-10)20(17,18)15-12-6-2-5-11(8-12)13(14)19/h2,5-6,8,10,15H,3-4,7,9H2,1H3,(H2,14,19)/t10-/m0/s1