2-[5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]thiophen-2-yl]ethanoate

Systemtic Name: 2-[5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]thiophen-2-yl]ethanoate Openeye Name: 2-[5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]-2-thienyl]acetate CAS Name: 2-[5-[methyl-(1-methyl-4-piperidin-1-iumyl)sulfamoyl]-2-thiophenyl]acetate IUPAC Name: 2-[5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]thiophen-2-yl]acetate Traditional Name: 2-[5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]-2-thienyl]acetate Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(S2)CC(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(S2)CC(=O)[O-]

InChI

InChI=1S/C13H20N2O4S2/c1-14-7-5-10(6-8-14)15(2)21(18,19)13-4-3-11(20-13)9-12(16)17/h3-4,10H,5-9H2,1-2H3,(H,16,17)