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

Systemtic Name: (4-bromophenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate Openeye Name: (4-bromophenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)acetate CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)acetate Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)acetic acid (4-bromobenzyl) ester Formula: C15H15BrNO2+ MolecularWeight: 321.1891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrNO2/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/q+1