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

Systemtic Name: diethyl 3-methyl-5-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(4-methyl-1-piperazin-4-iumyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2CC[NH+](CC2)C

InChI

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