2-[[(5-bromanylpyridin-1-ium-2-yl)amino]methyl]-5-methoxy-phenol

Systemtic Name: 2-[[(5-bromanylpyridin-1-ium-2-yl)amino]methyl]-5-methoxy-phenol Openeye Name: 2-[[(5-bromopyridin-1-ium-2-yl)amino]methyl]-5-methoxy-phenol CAS Name: 2-[[(5-bromo-2-pyridin-1-iumyl)amino]methyl]-5-methoxyphenol IUPAC Name: 2-[[(5-bromopyridin-1-ium-2-yl)amino]methyl]-5-methoxyphenol Traditional Name: 2-[[(5-bromopyridin-1-ium-2-yl)amino]methyl]-5-methoxy-phenol Formula: C13H14BrN2O2+ MolecularWeight: 310.16646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC2=[NH+]C=C(C=C2)Br)O

Isomeric SMILES

COC1=CC(=C(C=C1)CNC2=[NH+]C=C(C=C2)Br)O

InChI

InChI=1S/C13H13BrN2O2/c1-18-11-4-2-9(12(17)6-11)7-15-13-5-3-10(14)8-16-13/h2-6,8,17H,7H2,1H3,(H,15,16)/p+1