ethyl 4-(furan-2-yl)-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(furan-2-yl)-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-furyl)-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-furanyl)-2-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-yl)-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-furyl)-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H25N3O4S+2 MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C18H23N3O4S/c1-3-24-18(23)16-13(14-5-4-10-25-14)12-26-17(16)19-15(22)11-21-8-6-20(2)7-9-21/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,19,22)/p+2