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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CCOC1=CC(=C(N=C1)Cl)Br)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CCOC1=CC(=C(N=C1)Cl)Br)N

InChI

InChI=1S/C9H12BrClN2O.C7H8O3S/c1-6(12)2-3-14-7-4-8(10)9(11)13-5-7;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,2-3,12H2,1H3;2-5H,1H3,(H,8,9,10)