1-[(3-fluorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-fluorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-fluorophenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-fluorobenzyl)-4-[4-(methylthio)benzyl]piperazin-1-ium Formula: C19H24FN2S+ MolecularWeight: 331.470663

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H23FN2S/c1-23-19-7-5-16(6-8-19)14-21-9-11-22(12-10-21)15-17-3-2-4-18(20)13-17/h2-8,13H,9-12,14-15H2,1H3/p+1