6-(6-bromanyl-5-methoxy-pyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane; 4-methylbenzenesulfonic acid

Systemtic Name: 6-(6-bromanyl-5-methoxy-pyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane; 4-methylbenzenesulfonic acid Openeye Name: 6-(6-bromo-5-methoxy-3-pyridyl)-3,6-diazabicyclo[3.2.0]heptane; 4-methylbenzenesulfonic acid CAS Name: 6-(6-bromo-5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane; 4-methylbenzenesulfonic acid IUPAC Name: 6-(6-bromo-5-methoxypyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane; 4-methylbenzenesulfonic acid Traditional Name: 6-(6-bromo-5-methoxy-3-pyridyl)-3,6-diazabicyclo[3.2.0]heptane; tosylic acid Formula: C18H22BrN3O4S MolecularWeight: 456.35398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(N=CC(=C1)N2CC3C2CNC3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(N=CC(=C1)N2CC3C2CNC3)Br

InChI

InChI=1S/C11H14BrN3O.C7H8O3S/c1-16-10-2-8(4-14-11(10)12)15-6-7-3-13-5-9(7)15;1-6-2-4-7(5-3-6)11(8,9)10/h2,4,7,9,13H,3,5-6H2,1H3;2-5H,1H3,(H,8,9,10)