[4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoranyl-pyridin-3-yl]carbonylamino]cyclohexyl]azanium chloride

Systemtic Name: [4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoranyl-pyridin-3-yl]carbonylamino]cyclohexyl]azanium chloride Openeye Name: [4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoro-pyridine-3-carbonyl]amino]cyclohexyl]ammonium chloride CAS Name: [4-[[[2-(1,3-benzodioxol-5-yloxy)-5-fluoro-3-pyridinyl]-oxomethyl]amino]cyclohexyl]ammonium chloride IUPAC Name: [4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium chloride Traditional Name: [4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoro-nicotinoyl]amino]cyclohexyl]ammonium chloride Formula: C19H21ClFN3O4 MolecularWeight: 409.839143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1[NH3+])NC(=O)C2=CC(=CN=C2OC3=CC4=C(C=C3)OCO4)F.[Cl-]

Isomeric SMILES

C1CC(CCC1[NH3+])NC(=O)C2=CC(=CN=C2OC3=CC4=C(C=C3)OCO4)F.[Cl-]

InChI

InChI=1S/C19H20FN3O4.ClH/c20-11-7-15(18(24)23-13-3-1-12(21)2-4-13)19(22-9-11)27-14-5-6-16-17(8-14)26-10-25-16;/h5-9,12-13H,1-4,10,21H2,(H,23,24);1H