(2S)-1-(5-bromanyl-6-chloranyl-pyridin-3-yl)oxy-N,N-dimethyl-propan-2-amine; 4-methylbenzenesulfonic acid

Systemtic Name: (2S)-1-(5-bromanyl-6-chloranyl-pyridin-3-yl)oxy-N,N-dimethyl-propan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: (2S)-1-[(5-bromo-6-chloro-3-pyridyl)oxy]-N,N-dimethyl-propan-2-amine; 4-methylbenzenesulfonic acid CAS Name: (2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-N,N-dimethyl-2-propanamine; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-1-(5-bromo-6-chloropyridin-3-yl)oxy-N,N-dimethylpropan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [(1S)-2-[(5-bromo-6-chloro-3-pyridyl)oxy]-1-methyl-ethyl]-dimethyl-amine; tosylic acid Formula: C17H22BrClN2O4S MolecularWeight: 465.78958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(COC1=CC(=C(N=C1)Cl)Br)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C[C@@H](COC1=CC(=C(N=C1)Cl)Br)N(C)C

InChI

InChI=1S/C10H14BrClN2O.C7H8O3S/c1-7(14(2)3)6-15-8-4-9(11)10(12)13-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7H,6H2,1-3H3;2-5H,1H3,(H,8,9,10)/t7-;/m0./s1