methyl 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C12H19N2O5S2+ MolecularWeight: 335.41966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CC[NH+](CC2)CCO

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C12H18N2O5S2/c1-19-12(16)11-10(2-9-20-11)21(17,18)14-5-3-13(4-6-14)7-8-15/h2,9,15H,3-8H2,1H3/p+1