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

Systemtic Name: 3-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-[4-[(2-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-[4-(2-fluorobenzyl)piperazin-1-ium-1-yl]-N-[2-(methylthio)phenyl]propionamide Formula: C21H27FN3OS+ MolecularWeight: 388.521983

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3OS/c1-27-20-9-5-4-8-19(20)23-21(26)10-11-24-12-14-25(15-13-24)16-17-6-2-3-7-18(17)22/h2-9H,10-16H2,1H3,(H,23,26)/p+1