1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]azepan-1-ium

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]azepan-1-ium Openeye Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]azepan-1-ium CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]azepan-1-ium IUPAC Name: 1-[(3-bromo-4-fluorophenyl)methyl]azepan-1-ium Traditional Name: 1-(3-bromo-4-fluoro-benzyl)azepan-1-ium Formula: C13H18BrFN+ MolecularWeight: 287.191123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C13H17BrFN/c14-12-9-11(5-6-13(12)15)10-16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2/p+1