5-bromanyl-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide

Systemtic Name: 5-bromanyl-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide Openeye Name: 5-bromo-1-[2-oxo-2-(p-tolyl)ethyl]pyridin-1-ium-3-carboxylic acid bromide CAS Name: 5-bromo-1-[2-(4-methylphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid bromide IUPAC Name: 5-bromo-1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid bromide Traditional Name: 5-bromo-1-[2-keto-2-(p-tolyl)ethyl]pyridin-1-ium-3-carboxylic acid bromide Formula: C15H13Br2NO3 MolecularWeight: 415.07662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CC(=CC(=C2)Br)C(=O)O.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CC(=CC(=C2)Br)C(=O)O.[Br-]

InChI

InChI=1S/C15H12BrNO3.BrH/c1-10-2-4-11(5-3-10)14(18)9-17-7-12(15(19)20)6-13(16)8-17;/h2-8H,9H2,1H3;1H