1-(6-bromanyl-5-ethoxy-pyridin-3-yl)azepan-1-ium-1-amine

Systemtic Name: 1-(6-bromanyl-5-ethoxy-pyridin-3-yl)azepan-1-ium-1-amine Openeye Name: 1-(6-bromo-5-ethoxy-3-pyridyl)azepan-1-ium-1-amine CAS Name: 1-(6-bromo-5-ethoxy-3-pyridinyl)-1-azepan-1-iumamine IUPAC Name: 1-(6-bromo-5-ethoxypyridin-3-yl)azepan-1-ium-1-amine Traditional Name: [1-(6-bromo-5-ethoxy-3-pyridyl)azepan-1-ium-1-yl]amine Formula: C13H21BrN3O+ MolecularWeight: 315.22934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=CC(=C1)[N+]2(CCCCCC2)N)Br

Isomeric SMILES

CCOC1=C(N=CC(=C1)[N+]2(CCCCCC2)N)Br

InChI

InChI=1S/C13H21BrN3O/c1-2-18-12-9-11(10-16-13(12)14)17(15)7-5-3-4-6-8-17/h9-10H,2-8,15H2,1H3/q+1