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

Systemtic Name: ethyl 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C19H29N3O4S/c1-5-26-19(25)17-15(10-13(2)3)12-27-18(17)20-16(24)11-21-6-8-22(9-7-21)14(4)23/h12-13H,5-11H2,1-4H3,(H,20,24)/p+1