(2S)-1-(6-fluoranylpyridin-3-yl)oxy-N-methyl-propan-2-amine; 4-methylbenzenesulfonic acid

Systemtic Name: (2S)-1-(6-fluoranylpyridin-3-yl)oxy-N-methyl-propan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: (2S)-1-[(6-fluoro-3-pyridyl)oxy]-N-methyl-propan-2-amine; 4-methylbenzenesulfonic acid CAS Name: (2S)-1-[(6-fluoro-3-pyridinyl)oxy]-N-methyl-2-propanamine; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-1-(6-fluoropyridin-3-yl)oxy-N-methylpropan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [(1S)-2-[(6-fluoro-3-pyridyl)oxy]-1-methyl-ethyl]-methyl-amine; tosylic acid Formula: C16H21FN2O4S MolecularWeight: 356.412343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(COC1=CN=C(C=C1)F)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C[C@@H](COC1=CN=C(C=C1)F)NC

InChI

InChI=1S/C9H13FN2O.C7H8O3S/c1-7(11-2)6-13-8-3-4-9(10)12-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,7,11H,6H2,1-2H3;2-5H,1H3,(H,8,9,10)/t7-;/m0./s1