3-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophene-2-carboxylate

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophene-2-carboxylate Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophene-2-carboxylate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-thiophenecarboxylate IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-thenoate Formula: C10H14N2O4S2 MolecularWeight: 290.35916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O4S2/c1-11-3-5-12(6-4-11)18(15,16)8-2-7-17-9(8)10(13)14/h2,7H,3-6H2,1H3,(H,13,14)