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

Systemtic Name: ethyl 3-methyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-(4-isobutyrylpiperazin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCN(CC2)C(=O)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCN(CC2)C(=O)C(C)C)C

InChI

InChI=1S/C18H27N3O4S/c1-5-25-18(24)16-13(4)10-15(26-16)19-14(22)11-20-6-8-21(9-7-20)17(23)12(2)3/h10,12H,5-9,11H2,1-4H3,(H,19,22)/p+1