1-[4-[4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-bromo-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-bromo-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-bromo-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-bromo-4-fluoro-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C19H21BrFN2O+ MolecularWeight: 392.285243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3)F)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C19H20BrFN2O/c1-14(24)16-3-5-17(6-4-16)23-10-8-22(9-11-23)13-15-2-7-19(21)18(20)12-15/h2-7,12H,8-11,13H2,1H3/p+1