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

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-4-(4-bromophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[(2,6-difluorophenyl)methyl]piperazin-4-ium CAS Name: 1-(4-bromophenyl)sulfonyl-4-[(2,6-difluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[(2,6-difluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-brosyl-4-(2,6-difluorobenzyl)piperazin-4-ium Formula: C17H18BrF2N2O2S+ MolecularWeight: 432.302826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2F)F)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2F)F)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H17BrF2N2O2S/c18-13-4-6-14(7-5-13)25(23,24)22-10-8-21(9-11-22)12-15-16(19)2-1-3-17(15)20/h1-7H,8-12H2/p+1