2-[(4-fluorophenyl)methylsulfanyl]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CSCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CSCC3=CC=C(C=C3)F

InChI

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