(4-bromophenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate iodide

Systemtic Name: (4-bromophenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate iodide Openeye Name: (4-bromophenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)acetate iodide CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)acetic acid (4-bromophenyl)methyl ester iodide IUPAC Name: (4-bromophenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)acetate iodide Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)acetic acid (4-bromobenzyl) ester iodide Formula: C15H15BrINO2 MolecularWeight: 448.09357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CC(=O)OCC2=CC=C(C=C2)Br.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)CC(=O)OCC2=CC=C(C=C2)Br.[I-]

InChI

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