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

Systemtic Name: 4-(6-chloranyl-5-methyl-pyridin-3-yl)oxybutan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: 4-[(6-chloro-5-methyl-3-pyridyl)oxy]butan-2-amine; 4-methylbenzenesulfonic acid CAS Name: 4-[(6-chloro-5-methyl-3-pyridinyl)oxy]-2-butanamine; 4-methylbenzenesulfonic acid IUPAC Name: 4-(6-chloro-5-methylpyridin-3-yl)oxybutan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [3-[(6-chloro-5-methyl-3-pyridyl)oxy]-1-methyl-propyl]amine; tosylic acid Formula: C17H23ClN2O4S MolecularWeight: 386.89352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CN=C1Cl)OCCC(C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CN=C1Cl)OCCC(C)N

InChI

InChI=1S/C10H15ClN2O.C7H8O3S/c1-7-5-9(6-13-10(7)11)14-4-3-8(2)12;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,8H,3-4,12H2,1-2H3;2-5H,1H3,(H,8,9,10)