3-[[2-(4-bromanyl-2-fluoranyl-phenoxy)pyridin-3-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(4-bromanyl-2-fluoranyl-phenoxy)pyridin-3-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-bromo-2-fluoro-phenoxy)pyridine-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-bromo-2-fluorophenoxy)pyridine-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-bromo-2-fluoro-phenoxy)nicotinoyl]amino]propyl-dimethyl-ammonium Formula: C17H20BrFN3O2+ MolecularWeight: 397.262003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=C(N=CC=C1)OC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=C(N=CC=C1)OC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H19BrFN3O2/c1-22(2)10-4-9-20-16(23)13-5-3-8-21-17(13)24-15-7-6-12(18)11-14(15)19/h3,5-8,11H,4,9-10H2,1-2H3,(H,20,23)/p+1