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

Systemtic Name: 2-methoxyethyl 1-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: 2-methoxyethyl 1-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid 2-methoxyethyl ester bromide IUPAC Name: 2-methoxyethyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-[2-(2,4-dichlorophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid 2-methoxyethyl ester bromide Formula: C17H16BrCl2NO4 MolecularWeight: 449.12324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2NO4.BrH/c1-23-7-8-24-17(22)12-3-2-6-20(10-12)11-16(21)14-5-4-13(18)9-15(14)19;/h2-6,9-10H,7-8,11H2,1H3;1H/q+1;/p-1