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

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C13H20BrFN2+2 MolecularWeight: 303.213703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrFN2/c1-16-5-2-6-17(8-7-16)10-11-3-4-13(15)12(14)9-11/h3-4,9H,2,5-8,10H2,1H3/p+2