1-(6-chloranyl-5-fluoranyl-pyridin-3-yl)-N-methyl-azepan-1-ium-1-amine

Systemtic Name: 1-(6-chloranyl-5-fluoranyl-pyridin-3-yl)-N-methyl-azepan-1-ium-1-amine Openeye Name: 1-(6-chloro-5-fluoro-3-pyridyl)-N-methyl-azepan-1-ium-1-amine CAS Name: 1-(6-chloro-5-fluoro-3-pyridinyl)-N-methyl-1-azepan-1-iumamine IUPAC Name: 1-(6-chloro-5-fluoropyridin-3-yl)-N-methylazepan-1-ium-1-amine Traditional Name: [1-(6-chloro-5-fluoro-3-pyridyl)azepan-1-ium-1-yl]-methyl-amine Formula: C12H18ClFN3+ MolecularWeight: 258.742823

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Descriptors Computed from Structure

Canonical SMILES:

CN[N+]1(CCCCCC1)C2=CC(=C(N=C2)Cl)F

Isomeric SMILES

CN[N+]1(CCCCCC1)C2=CC(=C(N=C2)Cl)F

InChI

InChI=1S/C12H18ClFN3/c1-15-17(6-4-2-3-5-7-17)10-8-11(14)12(13)16-9-10/h8-9,15H,2-7H2,1H3/q+1