ethyl 2-(pyridin-1-ium-1-ylmethyl)benzoate bromide

Systemtic Name: ethyl 2-(pyridin-1-ium-1-ylmethyl)benzoate bromide Openeye Name: ethyl 2-(pyridin-1-ium-1-ylmethyl)benzoate bromide CAS Name: 2-(1-pyridin-1-iumylmethyl)benzoic acid ethyl ester bromide IUPAC Name: ethyl 2-(pyridin-1-ium-1-ylmethyl)benzoate bromide Traditional Name: 2-(pyridin-1-ium-1-ylmethyl)benzoic acid ethyl ester bromide Formula: C15H16BrNO2 MolecularWeight: 322.19704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H16NO2.BrH/c1-2-18-15(17)14-9-5-4-8-13(14)12-16-10-6-3-7-11-16;/h3-11H,2,12H2,1H3;1H/q+1;/p-1