2-pyridin-1-ium-1-ylethyl benzoate bromide

Systemtic Name: 2-pyridin-1-ium-1-ylethyl benzoate bromide Openeye Name: 2-pyridin-1-ium-1-ylethyl benzoate bromide CAS Name: benzoic acid 2-(1-pyridin-1-iumyl)ethyl ester bromide IUPAC Name: 2-pyridin-1-ium-1-ylethyl benzoate bromide Traditional Name: benzoic acid 2-pyridin-1-ium-1-ylethyl ester bromide Formula: C14H14BrNO2 MolecularWeight: 308.17046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H14NO2.BrH/c16-14(13-7-3-1-4-8-13)17-12-11-15-9-5-2-6-10-15;/h1-10H,11-12H2;1H/q+1;/p-1