1-[2,6-bis(fluoranyl)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2,6-difluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2,6-difluorophenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2,6-difluorophenyl)sulfonyl-piperazin-1-ium Formula: C17H19F2N2O2S+ MolecularWeight: 353.406766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C17H18F2N2O2S/c18-15-7-4-8-16(19)17(15)24(22,23)21-11-9-20(10-12-21)13-14-5-2-1-3-6-14/h1-8H,9-13H2/p+1