3-(azetidin-2-ylmethoxy)-2,6-bis(fluoranyl)pyridine; 4-methylbenzenesulfonic acid

Systemtic Name: 3-(azetidin-2-ylmethoxy)-2,6-bis(fluoranyl)pyridine; 4-methylbenzenesulfonic acid Openeye Name: 3-(azetidin-2-ylmethoxy)-2,6-difluoro-pyridine; 4-methylbenzenesulfonic acid CAS Name: 3-(2-azetidinylmethoxy)-2,6-difluoropyridine; 4-methylbenzenesulfonic acid IUPAC Name: 3-(azetidin-2-ylmethoxy)-2,6-difluoropyridine; 4-methylbenzenesulfonic acid Traditional Name: 3-(azetidin-2-ylmethoxy)-2,6-difluoro-pyridine; tosylic acid Formula: C16H18F2N2O4S MolecularWeight: 372.386926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNC1COC2=C(N=C(C=C2)F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNC1COC2=C(N=C(C=C2)F)F

InChI

InChI=1S/C9H10F2N2O.C7H8O3S/c10-8-2-1-7(9(11)13-8)14-5-6-3-4-12-6;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,6,12H,3-5H2;2-5H,1H3,(H,8,9,10)