1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-4-(p-tolylmethyl)piperazin-4-ium CAS Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-4-(4-methylbenzyl)piperazin-4-ium Formula: C18H21F2N2O2S+ MolecularWeight: 367.433346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C18H20F2N2O2S/c1-14-2-4-15(5-3-14)13-21-8-10-22(11-9-21)25(23,24)18-12-16(19)6-7-17(18)20/h2-7,12H,8-11,13H2,1H3/p+1