1-[2,5-bis(bromanyl)phenyl]sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[2,5-bis(bromanyl)phenyl]sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dibromophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dibromophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dibromophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dibromophenyl)sulfonyl-4-(2-fluorobenzyl)piperazin-4-ium Formula: C17H18Br2FN2O2S+ MolecularWeight: 493.208423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Br2FN2O2S/c18-14-5-6-15(19)17(11-14)25(23,24)22-9-7-21(8-10-22)12-13-3-1-2-4-16(13)20/h1-6,11H,7-10,12H2/p+1