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

Systemtic Name: ethyl 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C(=O)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C(=O)C)C(=O)OCC

InChI

InChI=1S/C17H25N3O4S/c1-4-13-10-14(17(23)24-5-2)16(25-13)18-15(22)11-19-6-8-20(9-7-19)12(3)21/h10H,4-9,11H2,1-3H3,(H,18,22)/p+1