2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCSCC2=CC=CC=C2)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCSCC2=CC=CC=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H27N3O2S/c25-20-8-6-19(7-9-20)24-13-11-23(12-14-24)16-21(26)22-10-15-27-17-18-4-2-1-3-5-18/h1-9,25H,10-17H2,(H,22,26)/p+1