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

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-1,4-diazepan-4-ium Openeye Name: 1-(5-bromo-2-pyridyl)-1,4-diazepan-4-ium CAS Name: 1-(5-bromo-2-pyridinyl)-1,4-diazepan-4-ium IUPAC Name: 1-(5-bromopyridin-2-yl)-1,4-diazepan-4-ium Traditional Name: 1-(5-bromo-2-pyridyl)-1,4-diazepan-4-ium Formula: C10H15BrN3+ MolecularWeight: 257.1502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14BrN3/c11-9-2-3-10(13-8-9)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2/p+1