1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-bromobenzyl)-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C17H19BrFN2O2S+ MolecularWeight: 414.312363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H18BrFN2O2S/c18-17-4-2-1-3-14(17)13-20-9-11-21(12-10-20)24(22,23)16-7-5-15(19)6-8-16/h1-8H,9-13H2/p+1