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

Systemtic Name: ethyl 2-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C21H26FN3O3S/c1-3-24-9-11-25(12-10-24)13-18(26)23-20-19(21(27)28-4-2)17(14-29-20)15-5-7-16(22)8-6-15/h5-8,14H,3-4,9-13H2,1-2H3,(H,23,26)/p+1