(5-bromanylpyridin-3-yl)-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (5-bromo-3-pyridyl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: (5-bromo-3-pyridinyl)-(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (5-bromopyridin-3-yl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (5-bromo-3-pyridyl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C11H15BrN3O+ MolecularWeight: 285.1603

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C11H14BrN3O/c12-10-6-9(7-14-8-10)11(16)15-4-1-2-13-3-5-15/h6-8,13H,1-5H2/p+1