dimethyl 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]sulfonyl]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H23N2O7S2+ MolecularWeight: 407.48232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CC[NH+](CC2)CCO)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CC[NH+](CC2)CCO)C(=O)OC

InChI

InChI=1S/C15H22N2O7S2/c1-10-11(13(19)23-2)15(25-12(10)14(20)24-3)26(21,22)17-6-4-16(5-7-17)8-9-18/h18H,4-9H2,1-3H3/p+1