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

Systemtic Name: ethyl 6-[2-(3-methoxyphenyl)-3-(2-oxidanylideneethyl)-1H-imidazol-3-ium-4-yl]hexanoate bromide Openeye Name: ethyl 6-[2-(3-methoxyphenyl)-3-(2-oxoethyl)-1H-imidazol-3-ium-4-yl]hexanoate bromide CAS Name: 6-[2-(3-methoxyphenyl)-3-(2-oxoethyl)-1H-imidazol-3-ium-4-yl]hexanoic acid ethyl ester bromide IUPAC Name: ethyl 6-[2-(3-methoxyphenyl)-3-(2-oxoethyl)-1H-imidazol-3-ium-4-yl]hexanoate bromide Traditional Name: 6-[3-(2-ketoethyl)-2-(3-methoxyphenyl)-1H-imidazol-3-ium-4-yl]hexanoic acid ethyl ester bromide Formula: C20H27BrN2O4 MolecularWeight: 439.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4.BrH/c1-3-26-19(24)11-6-4-5-9-17-15-21-20(22(17)12-13-23)16-8-7-10-18(14-16)25-2;/h7-8,10,13-15H,3-6,9,11-12H2,1-2H3;1H