ethyl 2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-ethyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H27N3O3S+2 MolecularWeight: 341.46888

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=C(S2)C)C(=O)OCC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=C(S2)C)C(=O)OCC

InChI

InChI=1S/C16H25N3O3S/c1-4-18-6-8-19(9-7-18)11-14(20)17-15-13(10-12(3)23-15)16(21)22-5-2/h10H,4-9,11H2,1-3H3,(H,17,20)/p+2