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

Systemtic Name: 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide Openeye Name: 1-[2-(4-bromophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid bromide CAS Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid bromide IUPAC Name: 1-[2-(4-bromophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid bromide Traditional Name: 1-[2-(4-bromophenyl)-2-keto-ethyl]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[N+](=C1)CC(=O)C2=CC=C(C=C2)Br)C(=O)O.[Br-]

Isomeric SMILES

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

InChI

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