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

Systemtic Name: 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[2-(4-bromophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[2-(4-bromophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-[2-(4-bromophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid Formula: C14H11BrNO3+ MolecularWeight: 321.14604

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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

Isomeric SMILES

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

InChI

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