1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-[(4-bromo-2-fluoro-phenyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-[(4-bromo-2-fluorophenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(4-bromo-2-fluorophenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-(4-bromo-2-fluoro-benzyl)-1,4-diazepan-1-ium Formula: C12H17BrFN2+ MolecularWeight: 288.179183

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH+](C1)CC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C1CNCC[NH+](C1)CC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C12H16BrFN2/c13-11-3-2-10(12(14)8-11)9-16-6-1-4-15-5-7-16/h2-3,8,15H,1,4-7,9H2/p+1