(2S)-1-(6-chloranyl-5-methyl-pyridin-3-yl)oxypropan-2-amine; 4-methylbenzenesulfonic acid

Systemtic Name: (2S)-1-(6-chloranyl-5-methyl-pyridin-3-yl)oxypropan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: (2S)-1-[(6-chloro-5-methyl-3-pyridyl)oxy]propan-2-amine; 4-methylbenzenesulfonic acid CAS Name: (2S)-1-[(6-chloro-5-methyl-3-pyridinyl)oxy]-2-propanamine; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-1-(6-chloro-5-methylpyridin-3-yl)oxypropan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [(1S)-2-[(6-chloro-5-methyl-3-pyridyl)oxy]-1-methyl-ethyl]amine; tosylic acid Formula: C16H21ClN2O4S MolecularWeight: 372.86694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CN=C1Cl)OCC(C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CN=C1Cl)OC[C@H](C)N

InChI

InChI=1S/C9H13ClN2O.C7H8O3S/c1-6-3-8(4-12-9(6)10)13-5-7(2)11;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,7H,5,11H2,1-2H3;2-5H,1H3,(H,8,9,10)/t7-;/m0./s1