4-(pyridin-1-ium-1-ylmethyl)benzoic acid bromide

Systemtic Name: 4-(pyridin-1-ium-1-ylmethyl)benzoic acid bromide Openeye Name: 4-(pyridin-1-ium-1-ylmethyl)benzoic acid bromide CAS Name: 4-(1-pyridin-1-iumylmethyl)benzoic acid bromide IUPAC Name: 4-(pyridin-1-ium-1-ylmethyl)benzoic acid bromide Traditional Name: 4-(pyridin-1-ium-1-ylmethyl)benzoic acid bromide Formula: C13H12BrNO2 MolecularWeight: 294.14388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C(=O)O.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C(=O)O.[Br-]

InChI

InChI=1S/C13H11NO2.BrH/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;/h1-9H,10H2;1H