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

Systemtic Name: ethyl 5-chloranyl-4-phenyl-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-chloro-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-chloro-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-5-chloro-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-5-chloro-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H27ClN3O4S+ MolecularWeight: 513.02828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3O4S/c1-2-34-26(33)22-21(18-9-5-3-6-10-18)23(27)35-24(22)28-20(31)17-29-13-15-30(16-14-29)25(32)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3,(H,28,31)/p+1