1-(5-bromanylpyrimidin-2-yl)-1,4-diazepan-4-ium

Systemtic Name: 1-(5-bromanylpyrimidin-2-yl)-1,4-diazepan-4-ium Openeye Name: 1-(5-bromopyrimidin-2-yl)-1,4-diazepan-4-ium CAS Name: 1-(5-bromo-2-pyrimidinyl)-1,4-diazepan-4-ium IUPAC Name: 1-(5-bromopyrimidin-2-yl)-1,4-diazepan-4-ium Traditional Name: 1-(5-bromopyrimidin-2-yl)-1,4-diazepan-4-ium Formula: C9H14BrN4+ MolecularWeight: 258.13826

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NC=C(C=N2)Br

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NC=C(C=N2)Br

InChI

InChI=1S/C9H13BrN4/c10-8-6-12-9(13-7-8)14-4-1-2-11-3-5-14/h6-7,11H,1-5H2/p+1