1-[1-[2-(4-bromanylphenoxy)ethyl]pyridin-1-ium-3-yl]ethanone

Systemtic Name: 1-[1-[2-(4-bromanylphenoxy)ethyl]pyridin-1-ium-3-yl]ethanone Openeye Name: 1-[1-[2-(4-bromophenoxy)ethyl]pyridin-1-ium-3-yl]ethanone CAS Name: 1-[1-[2-(4-bromophenoxy)ethyl]-3-pyridin-1-iumyl]ethanone IUPAC Name: 1-[1-[2-(4-bromophenoxy)ethyl]pyridin-1-ium-3-yl]ethanone Traditional Name: 1-[1-[2-(4-bromophenoxy)ethyl]pyridin-1-ium-3-yl]ethanone Formula: C15H15BrNO2+ MolecularWeight: 321.1891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CCOC2=CC=C(C=C2)Br

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H15BrNO2/c1-12(18)13-3-2-8-17(11-13)9-10-19-15-6-4-14(16)5-7-15/h2-8,11H,9-10H2,1H3/q+1