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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-methyl-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-N-[4-(methylthio)benzyl]acetamide Formula: C21H27FN3OS+ MolecularWeight: 388.521983

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3OS/c1-23(15-17-3-9-20(27-2)10-4-17)21(26)16-24-11-13-25(14-12-24)19-7-5-18(22)6-8-19/h3-10H,11-16H2,1-2H3/p+1