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

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[3-(methylthio)phenyl]acetamide Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

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