5-(azetidin-2-ylmethoxy)-2-bromanyl-pyridine; 4-methylbenzenesulfonic acid

Systemtic Name: 5-(azetidin-2-ylmethoxy)-2-bromanyl-pyridine; 4-methylbenzenesulfonic acid Openeye Name: 5-(azetidin-2-ylmethoxy)-2-bromo-pyridine; 4-methylbenzenesulfonic acid CAS Name: 5-(2-azetidinylmethoxy)-2-bromopyridine; 4-methylbenzenesulfonic acid IUPAC Name: 5-(azetidin-2-ylmethoxy)-2-bromopyridine; 4-methylbenzenesulfonic acid Traditional Name: 5-(azetidin-2-ylmethoxy)-2-bromo-pyridine; tosylic acid Formula: C16H19BrN2O4S MolecularWeight: 415.30206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNC1COC2=CN=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNC1COC2=CN=C(C=C2)Br

InChI

InChI=1S/C9H11BrN2O.C7H8O3S/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5,7,11H,3-4,6H2;2-5H,1H3,(H,8,9,10)