1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-4-(m-tolylmethyl)piperazin-4-ium CAS Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-4-(3-methylbenzyl)piperazin-4-ium Formula: C18H21F2N2O2S+ MolecularWeight: 367.433346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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