(4-fluorophenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-fluorophenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]methanone Formula: C19H22FN2OS+ MolecularWeight: 345.454183

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2OS/c1-24-18-8-2-15(3-9-18)14-21-10-12-22(13-11-21)19(23)16-4-6-17(20)7-5-16/h2-9H,10-14H2,1H3/p+1