5-(azetidin-1-ylmethoxy)-3-ethenyl-2-fluoranyl-pyridine; 4-methylbenzenesulfonate

Systemtic Name: 5-(azetidin-1-ylmethoxy)-3-ethenyl-2-fluoranyl-pyridine; 4-methylbenzenesulfonate Openeye Name: 5-(azetidin-1-ylmethoxy)-2-fluoro-3-vinyl-pyridine; 4-methylbenzenesulfonate CAS Name: 5-(1-azetidinylmethoxy)-3-ethenyl-2-fluoropyridine; 4-methylbenzenesulfonate IUPAC Name: 5-(azetidin-1-ylmethoxy)-3-ethenyl-2-fluoropyridine; 4-methylbenzenesulfonate Traditional Name: 5-(azetidin-1-ylmethoxy)-2-fluoro-3-vinyl-pyridine tosylate Formula: C18H20FN2O4S- MolecularWeight: 379.425803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CC1=CC(=CN=C1F)OCN2CCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CC1=CC(=CN=C1F)OCN2CCC2

InChI

InChI=1S/C11H13FN2O.C7H8O3S/c1-2-9-6-10(7-13-11(9)12)15-8-14-4-3-5-14;1-6-2-4-7(5-3-6)11(8,9)10/h2,6-7H,1,3-5,8H2;2-5H,1H3,(H,8,9,10)/p-1