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

Systemtic Name: 5-(azetidin-1-ylmethoxy)-3-chloranyl-2-fluoranyl-pyridine; 4-methylbenzenesulfonate Openeye Name: 5-(azetidin-1-ylmethoxy)-3-chloro-2-fluoro-pyridine; 4-methylbenzenesulfonate CAS Name: 5-(1-azetidinylmethoxy)-3-chloro-2-fluoropyridine; 4-methylbenzenesulfonate IUPAC Name: 5-(azetidin-1-ylmethoxy)-3-chloro-2-fluoropyridine; 4-methylbenzenesulfonate Traditional Name: 5-(azetidin-1-ylmethoxy)-3-chloro-2-fluoro-pyridine tosylate Formula: C16H17ClFN2O4S- MolecularWeight: 387.833583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CN(C1)COC2=CC(=C(N=C2)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CN(C1)COC2=CC(=C(N=C2)F)Cl

InChI

InChI=1S/C9H10ClFN2O.C7H8O3S/c10-8-4-7(5-12-9(8)11)14-6-13-2-1-3-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-5H,1-3,6H2;2-5H,1H3,(H,8,9,10)/p-1