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

Systemtic Name: methyl 4-ethyl-2-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCN(CC2)CC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCN(CC2)CC)C

InChI

InChI=1S/C17H27N3O3S/c1-5-13-12(3)24-16(15(13)17(22)23-4)18-14(21)11-20-9-7-19(6-2)8-10-20/h5-11H2,1-4H3,(H,18,21)/p+1