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

Systemtic Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-methyl-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-5-methyl-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H32N3O4S+ MolecularWeight: 506.63638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4S/c1-4-35-28(34)25-24(21-12-10-19(2)11-13-21)20(3)36-26(25)29-23(32)18-30-14-16-31(17-15-30)27(33)22-8-6-5-7-9-22/h5-13H,4,14-18H2,1-3H3,(H,29,32)/p+1