N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C24H25ClN3OS+ MolecularWeight: 438.9928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H24ClN3OS/c25-19-10-12-21(13-11-19)30-23-9-5-4-8-22(23)26-24(29)18-27-14-16-28(17-15-27)20-6-2-1-3-7-20/h1-13H,14-18H2,(H,26,29)/p+1