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

Systemtic Name: diethyl 5-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-ethyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H31N3O5S+2 MolecularWeight: 413.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C19H29N3O5S/c1-5-21-8-10-22(11-9-21)12-14(23)20-17-15(18(24)26-6-2)13(4)16(28-17)19(25)27-7-3/h5-12H2,1-4H3,(H,20,23)/p+2