N-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-[(2,4-dichlorophenyl)methylthio]phenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-[(2,4-dichlorobenzyl)thio]phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C25H26Cl2N3OS+ MolecularWeight: 487.46444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)SCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)SCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H25Cl2N3OS/c26-20-7-6-19(24(27)16-20)18-32-23-10-8-21(9-11-23)28-25(31)17-29-12-14-30(15-13-29)22-4-2-1-3-5-22/h1-11,16H,12-15,17-18H2,(H,28,31)/p+1