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

Systemtic Name: ethyl 2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethanoylamino]-4-(furan-2-yl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-(2-furyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-ethyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-4-(2-furanyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-(2-furyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H27N3O4S+2 MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CO3)C(=O)OCC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CO3)C(=O)OCC

InChI

InChI=1S/C19H25N3O4S/c1-3-21-7-9-22(10-8-21)12-16(23)20-18-17(19(24)25-4-2)14(13-27-18)15-6-5-11-26-15/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,20,23)/p+2