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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C24H25ClN3O2S+ MolecularWeight: 454.9922

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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=C(C=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O2S/c25-18-5-11-21(12-6-18)31-23-4-2-1-3-22(23)26-24(30)17-27-13-15-28(16-14-27)19-7-9-20(29)10-8-19/h1-12,29H,13-17H2,(H,26,30)/p+1