5-[1-(azetidin-1-yl)-2,2-dimethyl-butoxy]-2-fluoranyl-pyridine; 4-methylbenzenesulfonate

Systemtic Name: 5-[1-(azetidin-1-yl)-2,2-dimethyl-butoxy]-2-fluoranyl-pyridine; 4-methylbenzenesulfonate Openeye Name: 5-[1-(azetidin-1-yl)-2,2-dimethyl-butoxy]-2-fluoro-pyridine; 4-methylbenzenesulfonate CAS Name: 5-[1-(1-azetidinyl)-2,2-dimethylbutoxy]-2-fluoropyridine; 4-methylbenzenesulfonate IUPAC Name: 5-[1-(azetidin-1-yl)-2,2-dimethylbutoxy]-2-fluoropyridine; 4-methylbenzenesulfonate Traditional Name: 5-[1-(azetidin-1-yl)-2,2-dimethyl-butoxy]-2-fluoro-pyridine tosylate Formula: C21H28FN2O4S- MolecularWeight: 423.521423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(N1CCC1)OC2=CN=C(C=C2)F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC(C)(C)C(N1CCC1)OC2=CN=C(C=C2)F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H21FN2O.C7H8O3S/c1-4-14(2,3)13(17-8-5-9-17)18-11-6-7-12(15)16-10-11;1-6-2-4-7(5-3-6)11(8,9)10/h6-7,10,13H,4-5,8-9H2,1-3H3;2-5H,1H3,(H,8,9,10)/p-1