diethyl 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: diethyl 2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: diethyl 2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester Formula: C20H32N4O5S+2 MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C20H30N4O5S/c1-4-28-19(26)17-14-6-7-24(20(27)29-5-2)12-15(14)30-18(17)21-16(25)13-23-10-8-22(3)9-11-23/h4-13H2,1-3H3,(H,21,25)/p+2