ethyl 1-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate bromide

Systemtic Name: ethyl 1-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[2-(3,4-dichlorophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-[2-(3,4-dichlorophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C16H14BrCl2NO3 MolecularWeight: 419.09726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14Cl2NO3.BrH/c1-2-22-16(21)12-4-3-7-19(9-12)10-15(20)11-5-6-13(17)14(18)8-11;/h3-9H,2,10H2,1H3;1H/q+1;/p-1