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

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-methyl-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[4-(methylthio)benzyl]acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-22(15-17-3-9-20(27-2)10-4-17)21(26)16-23-11-13-24(14-12-23)18-5-7-19(25)8-6-18/h3-10,25H,11-16H2,1-2H3/p+1