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

Systemtic Name: methyl 3-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(4-isobutyrylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H24N3O4S+ MolecularWeight: 354.44446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C16H23N3O4S/c1-11(2)15(21)19-7-5-18(6-8-19)10-13(20)17-12-4-9-24-14(12)16(22)23-3/h4,9,11H,5-8,10H2,1-3H3,(H,17,20)/p+1