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

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-(3-fluorophenyl)sulfonyl-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C18H22FN2O2S2+ MolecularWeight: 381.507883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O2S2/c1-24-17-7-5-15(6-8-17)14-20-9-11-21(12-10-20)25(22,23)18-4-2-3-16(19)13-18/h2-8,13H,9-12,14H2,1H3/p+1