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

Systemtic Name: (2S)-1-(5-bromanyl-6-chloranyl-pyridin-3-yl)oxy-N,N-dimethyl-3-phenyl-propan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: (2S)-1-[(5-bromo-6-chloro-3-pyridyl)oxy]-N,N-dimethyl-3-phenyl-propan-2-amine; 4-methylbenzenesulfonic acid CAS Name: (2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-N,N-dimethyl-3-phenyl-2-propanamine; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-1-(5-bromo-6-chloropyridin-3-yl)oxy-N,N-dimethyl-3-phenylpropan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [(1S)-1-benzyl-2-[(5-bromo-6-chloro-3-pyridyl)oxy]ethyl]-dimethyl-amine; tosylic acid Formula: C23H26BrClN2O4S MolecularWeight: 541.88554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C(CC1=CC=CC=C1)COC2=CC(=C(N=C2)Cl)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)[C@@H](CC1=CC=CC=C1)COC2=CC(=C(N=C2)Cl)Br

InChI

InChI=1S/C16H18BrClN2O.C7H8O3S/c1-20(2)13(8-12-6-4-3-5-7-12)11-21-14-9-15(17)16(18)19-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9-10,13H,8,11H2,1-2H3;2-5H,1H3,(H,8,9,10)/t13-;/m0./s1