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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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