N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(phenylthio)acetamide Formula: C25H28N3OS+ MolecularWeight: 418.57432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C25H27N3OS/c29-25(20-30-24-9-5-2-6-10-24)26-22-11-13-23(14-12-22)28-17-15-27(16-18-28)19-21-7-3-1-4-8-21/h1-14H,15-20H2,(H,26,29)/p+1