2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[2-[(4-methylphenyl)thio]ethyl]acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(p-tolylthio)ethyl]acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H27N3O2S/c1-17-2-8-20(9-3-17)27-15-10-22-21(26)16-23-11-13-24(14-12-23)18-4-6-19(25)7-5-18/h2-9,25H,10-16H2,1H3,(H,22,26)/p+1