tert-butyl 1-[(5-bromanylpyridin-3-yl)oxymethyl]azetidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[(5-bromanylpyridin-3-yl)oxymethyl]azetidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[(5-bromo-3-pyridyl)oxymethyl]azetidin-1-ium-1-carboxylate CAS Name: 1-[(5-bromo-3-pyridinyl)oxymethyl]-1-azetidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(5-bromopyridin-3-yl)oxymethyl]azetidin-1-ium-1-carboxylate Traditional Name: 1-[(5-bromo-3-pyridyl)oxymethyl]azetidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C14H20BrN2O3+ MolecularWeight: 344.2242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC1)COC2=CC(=CN=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC1)COC2=CC(=CN=C2)Br

InChI

InChI=1S/C14H20BrN2O3/c1-14(2,3)20-13(18)17(5-4-6-17)10-19-12-7-11(15)8-16-9-12/h7-9H,4-6,10H2,1-3H3/q+1