1-(4-chlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanone; ethyl hexanoate; bromide

Systemtic Name: 1-(4-chlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanone; ethyl hexanoate; bromide Openeye Name: 1-(4-chlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanone; ethyl hexanoate; bromide CAS Name: 1-(4-chlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanone; hexanoic acid ethyl ester; bromide IUPAC Name: 1-(4-chlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanone; ethyl hexanoate; bromide Traditional Name: 1-(4-chlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanone; hexanoic acid ethyl ester; bromide Formula: C19H26BrClN2O3 MolecularWeight: 445.77834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC.C1=CC(=CC=C1C(=O)C[N+]2=CNC=C2)Cl.[Br-]

Isomeric SMILES

CCCCCC(=O)OCC.C1=CC(=CC=C1C(=O)C[N+]2=CNC=C2)Cl.[Br-]

InChI

InChI=1S/C11H9ClN2O.C8H16O2.BrH/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14;1-3-5-6-7-8(9)10-4-2;/h1-6,8H,7H2;3-7H2,1-2H3;1H