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

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(methylthio)phenyl]acetamide Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C19H23N3O2S/c1-25-18-9-5-2-6-15(18)20-19(24)14-21-10-12-22(13-11-21)16-7-3-4-8-17(16)23/h2-9,23H,10-14H2,1H3,(H,20,24)/p+1