N-[2-(4-bromanyl-2,6-dimethoxy-phenoxy)ethyl]pyridin-1-ium-2-amine

Systemtic Name: N-[2-(4-bromanyl-2,6-dimethoxy-phenoxy)ethyl]pyridin-1-ium-2-amine Openeye Name: N-[2-(4-bromo-2,6-dimethoxy-phenoxy)ethyl]pyridin-1-ium-2-amine CAS Name: N-[2-(4-bromo-2,6-dimethoxyphenoxy)ethyl]-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-bromo-2,6-dimethoxyphenoxy)ethyl]pyridin-1-ium-2-amine Traditional Name: 2-(4-bromo-2,6-dimethoxy-phenoxy)ethyl-pyridin-1-ium-2-yl-amine Formula: C15H18BrN2O3+ MolecularWeight: 354.21902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCCNC2=CC=CC=[NH+]2)OC)Br

Isomeric SMILES

COC1=CC(=CC(=C1OCCNC2=CC=CC=[NH+]2)OC)Br

InChI

InChI=1S/C15H17BrN2O3/c1-19-12-9-11(16)10-13(20-2)15(12)21-8-7-18-14-5-3-4-6-17-14/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)/p+1