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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3Br

InChI

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