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

Systemtic Name: propan-2-yl 1-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: isopropyl 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 propan-2-yl ester bromide IUPAC Name: propan-2-yl 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 isopropyl ester bromide Formula: C17H16BrCl2NO3 MolecularWeight: 433.12384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2NO3.BrH/c1-11(2)23-17(22)12-4-3-7-20(9-12)10-16(21)14-6-5-13(18)8-15(14)19;/h3-9,11H,10H2,1-2H3;1H/q+1;/p-1