ethyl 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H27N4O5S+ MolecularWeight: 411.49578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C18H26N4O5S/c1-5-27-18(26)14-11(2)15(16(25)19-4)28-17(14)20-13(24)10-21-6-8-22(9-7-21)12(3)23/h5-10H2,1-4H3,(H,19,25)(H,20,24)/p+1