4-(6-chloranylpyridin-3-yl)oxybutan-2-amine; 4-methylbenzenesulfonic acid

Systemtic Name: 4-(6-chloranylpyridin-3-yl)oxybutan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: 4-[(6-chloro-3-pyridyl)oxy]butan-2-amine; 4-methylbenzenesulfonic acid CAS Name: 4-[(6-chloro-3-pyridinyl)oxy]-2-butanamine; 4-methylbenzenesulfonic acid IUPAC Name: 4-(6-chloropyridin-3-yl)oxybutan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [3-[(6-chloro-3-pyridyl)oxy]-1-methyl-propyl]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.CC(CCOC1=CN=C(C=C1)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C9H13ClN2O.C7H8O3S/c1-7(11)4-5-13-8-2-3-9(10)12-6-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,6-7H,4-5,11H2,1H3;2-5H,1H3,(H,8,9,10)