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

Systemtic Name: 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(methylthio)phenyl]propionamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-26-19-9-5-2-6-16(19)21-20(25)10-11-22-12-14-23(15-13-22)17-7-3-4-8-18(17)24/h2-9,24H,10-15H2,1H3,(H,21,25)/p+1