2-pyridin-1-ium-1-ylethyl ethanoate bromide

Systemtic Name: 2-pyridin-1-ium-1-ylethyl ethanoate bromide Openeye Name: 2-pyridin-1-ium-1-ylethyl acetate bromide CAS Name: acetic acid 2-(1-pyridin-1-iumyl)ethyl ester bromide IUPAC Name: 2-pyridin-1-ium-1-ylethyl acetate bromide Traditional Name: acetic acid 2-pyridin-1-ium-1-ylethyl ester bromide Formula: C9H12BrNO2 MolecularWeight: 246.10108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC[N+]1=CC=CC=C1.[Br-]

Isomeric SMILES

CC(=O)OCC[N+]1=CC=CC=C1.[Br-]

InChI

InChI=1S/C9H12NO2.BrH/c1-9(11)12-8-7-10-5-3-2-4-6-10;/h2-6H,7-8H2,1H3;1H/q+1;/p-1