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

Systemtic Name: diethyl 5-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H28N3O6S+ MolecularWeight: 414.49642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)N2CC[NH+](CC2)CCO

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C18H27N3O6S/c1-4-26-16(23)13-12(3)14(17(24)27-5-2)28-15(13)19-18(25)21-8-6-20(7-9-21)10-11-22/h22H,4-11H2,1-3H3,(H,19,25)/p+1