methyl 5-chloranyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-thiophene-2-carboxylate Openeye Name: methyl 5-chloro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-thiophene-2-carboxylate CAS Name: 5-chloro-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 5-chloro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-thiophene-2-carboxylic acid methyl ester Formula: C11H16ClN2O4S2+ MolecularWeight: 339.83874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15ClN2O4S2/c1-13-3-5-14(6-4-13)20(16,17)8-7-9(12)19-10(8)11(15)18-2/h7H,3-6H2,1-2H3/p+1