(phenylmethyl) 2-(2-bromanylpyridin-1-ium-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(2-bromanylpyridin-1-ium-1-yl)ethanoate Openeye Name: benzyl 2-(2-bromopyridin-1-ium-1-yl)acetate CAS Name: 2-(2-bromo-1-pyridin-1-iumyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-bromopyridin-1-ium-1-yl)acetate Traditional Name: 2-(2-bromopyridin-1-ium-1-yl)acetic acid benzyl ester Formula: C14H13BrNO2+ MolecularWeight: 307.16252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C[N+]2=CC=CC=C2Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[N+]2=CC=CC=C2Br

InChI

InChI=1S/C14H13BrNO2/c15-13-8-4-5-9-16(13)10-14(17)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2/q+1