1-(6-bromanyl-5-fluoranyl-pyridin-3-yl)azepan-1-ium-1-amine

Systemtic Name: 1-(6-bromanyl-5-fluoranyl-pyridin-3-yl)azepan-1-ium-1-amine Openeye Name: 1-(6-bromo-5-fluoro-3-pyridyl)azepan-1-ium-1-amine CAS Name: 1-(6-bromo-5-fluoro-3-pyridinyl)-1-azepan-1-iumamine IUPAC Name: 1-(6-bromo-5-fluoropyridin-3-yl)azepan-1-ium-1-amine Traditional Name: [1-(6-bromo-5-fluoro-3-pyridyl)azepan-1-ium-1-yl]amine Formula: C11H16BrFN3+ MolecularWeight: 289.167243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16BrFN3/c12-11-10(13)7-9(8-15-11)16(14)5-3-1-2-4-6-16/h7-8H,1-6,14H2/q+1