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

Systemtic Name: (2S)-1-(5-bromanyl-6-chloranyl-pyridin-3-yl)oxybutan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: (2S)-1-[(5-bromo-6-chloro-3-pyridyl)oxy]butan-2-amine; 4-methylbenzenesulfonic acid CAS Name: (2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-2-butanamine; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-1-(5-bromo-6-chloropyridin-3-yl)oxybutan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [(1S)-1-[(5-bromo-6-chloro-3-pyridyl)oxymethyl]propyl]amine; tosylic acid Formula: C16H20BrClN2O4S MolecularWeight: 451.763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12BrClN2O.C7H8O3S/c1-2-6(12)5-14-7-3-8(10)9(11)13-4-7;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,6H,2,5,12H2,1H3;2-5H,1H3,(H,8,9,10)/t6-;/m0./s1