methyl 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate chloride

Systemtic Name: methyl 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate chloride Openeye Name: methyl 1-[2-(4-bromophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate chloride CAS Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl 1-[2-(4-bromophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate chloride Traditional Name: 1-[2-(4-bromophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid methyl ester chloride Formula: C15H13BrClNO3 MolecularWeight: 370.62562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrNO3.ClH/c1-20-15(19)12-3-2-8-17(9-12)10-14(18)11-4-6-13(16)7-5-11;/h2-9H,10H2,1H3;1H/q+1;/p-1