5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]thiophene-3-carboxylate

Systemtic Name: 5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]thiophene-3-carboxylate Openeye Name: 5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]thiophene-3-carboxylate CAS Name: 5-[methyl-(1-methyl-4-piperidin-1-iumyl)sulfamoyl]-3-thiophenecarboxylate IUPAC Name: 5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]thiophene-3-carboxylate Traditional Name: 5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]-3-thenoate Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S2/c1-13-5-3-10(4-6-13)14(2)20(17,18)11-7-9(8-19-11)12(15)16/h7-8,10H,3-6H2,1-2H3,(H,15,16)