(1-phenyl-2-pyridin-1-ium-1-yl-ethyl) ethanoate bromide

Systemtic Name: (1-phenyl-2-pyridin-1-ium-1-yl-ethyl) ethanoate bromide Openeye Name: (1-phenyl-2-pyridin-1-ium-1-yl-ethyl) acetate bromide CAS Name: acetic acid [1-phenyl-2-(1-pyridin-1-iumyl)ethyl] ester bromide IUPAC Name: (1-phenyl-2-pyridin-1-ium-1-ylethyl) acetate bromide Traditional Name: acetic acid (1-phenyl-2-pyridin-1-ium-1-yl-ethyl) ester bromide Formula: C15H16BrNO2 MolecularWeight: 322.19704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NO2.BrH/c1-13(17)18-15(14-8-4-2-5-9-14)12-16-10-6-3-7-11-16;/h2-11,15H,12H2,1H3;1H/q+1;/p-1