1-(6-chloranylpyridin-3-yl)azetidin-3-amine; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(6-chloranylpyridin-3-yl)azetidin-3-amine; 4-methylbenzenesulfonic acid Openeye Name: 1-(6-chloro-3-pyridyl)azetidin-3-amine; 4-methylbenzenesulfonic acid CAS Name: 1-(6-chloro-3-pyridinyl)-3-azetidinamine; 4-methylbenzenesulfonic acid IUPAC Name: 1-(6-chloropyridin-3-yl)azetidin-3-amine; 4-methylbenzenesulfonic acid Traditional Name: [1-(6-chloro-3-pyridyl)azetidin-3-yl]amine; tosylic acid Formula: C15H18ClN3O3S MolecularWeight: 355.83972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(CN1C2=CN=C(C=C2)Cl)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(CN1C2=CN=C(C=C2)Cl)N

InChI

InChI=1S/C8H10ClN3.C7H8O3S/c9-8-2-1-7(3-11-8)12-4-6(10)5-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6H,4-5,10H2;2-5H,1H3,(H,8,9,10)