5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophene-3-carboxylate

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophene-3-carboxylate Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophene-3-carboxylate CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-3-thiophenecarboxylate IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophene-3-carboxylate Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3-thenoate Formula: C10H14N2O4S2 MolecularWeight: 290.35916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CS2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CS2)C(=O)[O-]

InChI

InChI=1S/C10H14N2O4S2/c1-11-2-4-12(5-3-11)18(15,16)9-6-8(7-17-9)10(13)14/h6-7H,2-5H2,1H3,(H,13,14)