ethyl 6-[2-(4-chlorophenyl)-3-(2-oxidanylideneethyl)-1H-imidazol-3-ium-4-yl]hexanoate bromide

Systemtic Name: ethyl 6-[2-(4-chlorophenyl)-3-(2-oxidanylideneethyl)-1H-imidazol-3-ium-4-yl]hexanoate bromide Openeye Name: ethyl 6-[2-(4-chlorophenyl)-3-(2-oxoethyl)-1H-imidazol-3-ium-4-yl]hexanoate bromide CAS Name: 6-[2-(4-chlorophenyl)-3-(2-oxoethyl)-1H-imidazol-3-ium-4-yl]hexanoic acid ethyl ester bromide IUPAC Name: ethyl 6-[2-(4-chlorophenyl)-3-(2-oxoethyl)-1H-imidazol-3-ium-4-yl]hexanoate bromide Traditional Name: 6-[2-(4-chlorophenyl)-3-(2-ketoethyl)-1H-imidazol-3-ium-4-yl]hexanoic acid ethyl ester bromide Formula: C19H24BrClN2O3 MolecularWeight: 443.76246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCC1=CNC(=[N+]1CC=O)C2=CC=C(C=C2)Cl.[Br-]

Isomeric SMILES

CCOC(=O)CCCCCC1=CNC(=[N+]1CC=O)C2=CC=C(C=C2)Cl.[Br-]

InChI

InChI=1S/C19H23ClN2O3.BrH/c1-2-25-18(24)7-5-3-4-6-17-14-21-19(22(17)12-13-23)15-8-10-16(20)11-9-15;/h8-11,13-14H,2-7,12H2,1H3;1H