1-[(5-bromanylthiophen-2-yl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-(3-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C15H17BrFN2O2S2+ MolecularWeight: 420.340083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)S(=O)(=O)C3=CC=CC(=C3)F

InChI

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