2-(azepan-1-ium-1-yl)-N-(5-bromanylpyridin-2-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(5-bromanylpyridin-2-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(5-bromo-2-pyridyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(5-bromo-2-pyridinyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(5-bromopyridin-2-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(5-bromo-2-pyridyl)acetamide Formula: C13H19BrN3O+ MolecularWeight: 313.21346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=NC=C(C=C2)Br

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C13H18BrN3O/c14-11-5-6-12(15-9-11)16-13(18)10-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,15,16,18)/p+1