1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2-bromo-4-fluoro-phenyl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2-bromo-4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(2-bromo-4-fluoro-benzyl)-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C15H17BrFN2O2S2+ MolecularWeight: 420.340083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Br)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Br)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H16BrFN2O2S2/c16-14-10-13(17)4-3-12(14)11-18-5-7-19(8-6-18)23(20,21)15-2-1-9-22-15/h1-4,9-10H,5-8,11H2/p+1