2-(2,4-dimethylphenyl)sulfanyl-N-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(2,4-dimethylphenyl)thio]-N-[3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(2,4-dimethylphenyl)thio]-N-[3-fluoro-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=CC(=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)F)C

InChI

InChI=1S/C21H26FN3OS/c1-15-4-7-20(16(2)12-15)27-14-21(26)23-17-5-6-19(18(22)13-17)25-10-8-24(3)9-11-25/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)/p+1