methyl 4-(2-chlorophenyl)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2-chlorophenyl)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-(2-chlorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C20H23ClN3O4S+ MolecularWeight: 436.93232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C20H22ClN3O4S/c1-13(25)24-9-7-23(8-10-24)11-17(26)22-19-18(20(27)28-2)15(12-29-19)14-5-3-4-6-16(14)21/h3-6,12H,7-11H2,1-2H3,(H,22,26)/p+1