5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridine-2-thiolate

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridine-2-thiolate Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridine-2-thiolate CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinethiolate IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridine-2-thiolate Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridine-2-thiolate Formula: C10H15N3O2S2 MolecularWeight: 273.375

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)[S-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)[S-]

InChI

InChI=1S/C10H15N3O2S2/c1-12-4-6-13(7-5-12)17(14,15)9-2-3-10(16)11-8-9/h2-3,8H,4-7H2,1H3,(H,11,16)