2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-[2-(phenylmethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-[2-(phenylmethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[2-(phenylmethylthio)phenyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(benzylthio)phenyl]acetamide Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c30-25(19-28-15-17-29(18-16-28)26(31)22-11-5-2-6-12-22)27-23-13-7-8-14-24(23)32-20-21-9-3-1-4-10-21/h1-14H,15-20H2,(H,27,30)/p+1