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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C=C[N+](=C1C2=CC=C(C=C2)Cl)CC=O.[Br-]

Isomeric SMILES

CCOC(=O)CCCCCN1C=C[N+](=C1C2=CC=C(C=C2)Cl)CC=O.[Br-]

InChI

InChI=1S/C19H24ClN2O3.BrH/c1-2-25-18(24)6-4-3-5-11-21-12-13-22(14-15-23)19(21)16-7-9-17(20)10-8-16;/h7-10,12-13,15H,2-6,11,14H2,1H3;1H/q+1;/p-1