diethyl 3-methyl-5-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2CCN(CC2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2CCN(CC2)C

InChI

InChI=1S/C18H27N3O5S/c1-5-25-17(23)14-12(3)15(18(24)26-6-2)27-16(14)19-13(22)11-21-9-7-20(4)8-10-21/h5-11H2,1-4H3,(H,19,22)/p+1