2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[3-(phenylthio)propyl]acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCCSC2=CC=CC=C2)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCCSC2=CC=CC=C2)C3=CC=C(C=C3)O

InChI

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