1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-4-methyl-piperazine-1,4-diium Formula: C12H18BrFN2+2 MolecularWeight: 289.187123

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C12H16BrFN2/c1-15-4-6-16(7-5-15)9-10-2-3-12(14)11(13)8-10/h2-3,8H,4-7,9H2,1H3/p+2