6-(6-chloranylpyridin-3-yl)-3-azabicyclo[3.2.0]heptane; 4-methylbenzenesulfonic acid

Systemtic Name: 6-(6-chloranylpyridin-3-yl)-3-azabicyclo[3.2.0]heptane; 4-methylbenzenesulfonic acid Openeye Name: 6-(6-chloro-3-pyridyl)-3-azabicyclo[3.2.0]heptane; 4-methylbenzenesulfonic acid CAS Name: 6-(6-chloro-3-pyridinyl)-3-azabicyclo[3.2.0]heptane; 4-methylbenzenesulfonic acid IUPAC Name: 6-(6-chloropyridin-3-yl)-3-azabicyclo[3.2.0]heptane; 4-methylbenzenesulfonic acid Traditional Name: 6-(6-chloro-3-pyridyl)-3-azabicyclo[3.2.0]heptane; tosylic acid Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C2CNCC2C1C3=CN=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C2CNCC2C1C3=CN=C(C=C3)Cl

InChI

InChI=1S/C11H13ClN2.C7H8O3S/c12-11-2-1-7(5-14-11)9-3-8-4-13-6-10(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5,8-10,13H,3-4,6H2;2-5H,1H3,(H,8,9,10)