2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H25N3O2S/c1-2-15-27-20-6-4-3-5-19(20)22-21(26)16-23-11-13-24(14-12-23)17-7-9-18(25)10-8-17/h2-10,25H,1,11-16H2,(H,22,26)/p+1