5-bromanyl-1-phenacyl-pyridin-1-ium-3-carboxylic acid bromide

Systemtic Name: 5-bromanyl-1-phenacyl-pyridin-1-ium-3-carboxylic acid bromide Openeye Name: 5-bromo-1-phenacyl-pyridin-1-ium-3-carboxylic acid bromide CAS Name: 5-bromo-1-phenacyl-3-pyridin-1-iumcarboxylic acid bromide IUPAC Name: 5-bromo-1-phenacylpyridin-1-ium-3-carboxylic acid bromide Traditional Name: 5-bromo-1-phenacyl-pyridin-1-ium-3-carboxylic acid bromide Formula: C14H11Br2NO3 MolecularWeight: 401.05004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrNO3.BrH/c15-12-6-11(14(18)19)7-16(8-12)9-13(17)10-4-2-1-3-5-10;/h1-8H,9H2;1H