ethyl 2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethanoylamino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethanoylamino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-ethyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-4-(5-methyl-2-furanyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H29N3O4S+2 MolecularWeight: 407.52696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(O3)C)C(=O)OCC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(O3)C)C(=O)OCC

InChI

InChI=1S/C20H27N3O4S/c1-4-22-8-10-23(11-9-22)12-17(24)21-19-18(20(25)26-5-2)15(13-28-19)16-7-6-14(3)27-16/h6-7,13H,4-5,8-12H2,1-3H3,(H,21,24)/p+2