N-(2-chlorophenyl)-2-[4-[2-(thiophen-3-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[2-(thiophen-3-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[2-(3-thienylmethylsulfanyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[oxo-[2-(3-thiophenylmethylthio)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[2-(3-thenylthio)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C24H25ClN3O2S2+ MolecularWeight: 487.0572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3SCC4=CSC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3SCC4=CSC=C4

InChI

InChI=1S/C24H24ClN3O2S2/c25-20-6-2-3-7-21(20)26-23(29)15-27-10-12-28(13-11-27)24(30)19-5-1-4-8-22(19)32-17-18-9-14-31-16-18/h1-9,14,16H,10-13,15,17H2,(H,26,29)/p+1