tert-butyl 1-(5-bromanylpyridin-3-yl)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(5-bromanylpyridin-3-yl)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(5-bromo-3-pyridyl)piperidin-1-ium-1-carboxylate CAS Name: 1-(5-bromo-3-pyridinyl)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(5-bromopyridin-3-yl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(5-bromo-3-pyridyl)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C15H22BrN2O2+ MolecularWeight: 342.25138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)C2=CC(=CN=C2)Br

InChI

InChI=1S/C15H22BrN2O2/c1-15(2,3)20-14(19)18(7-5-4-6-8-18)13-9-12(16)10-17-11-13/h9-11H,4-8H2,1-3H3/q+1