1-[(2-bromophenyl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-bromophenyl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2-bromophenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-bromobenzyl)-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C17H19BrFN2O2S+ MolecularWeight: 414.312363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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