1-(3,4-dichlorophenyl)-2-[2-methyl-3-(phenylmethyl)imidazol-3-ium-1-yl]ethanone bromide

Systemtic Name: 1-(3,4-dichlorophenyl)-2-[2-methyl-3-(phenylmethyl)imidazol-3-ium-1-yl]ethanone bromide Openeye Name: 2-(3-benzyl-2-methyl-imidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide CAS Name: 1-(3,4-dichlorophenyl)-2-[2-methyl-3-(phenylmethyl)-1-imidazol-3-iumyl]ethanone bromide IUPAC Name: 2-(3-benzyl-2-methylimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Traditional Name: 2-(3-benzyl-2-methyl-imidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Formula: C19H17BrCl2N2O MolecularWeight: 440.16108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CC(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=[N+](C=CN1CC(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H17Cl2N2O.BrH/c1-14-22(12-15-5-3-2-4-6-15)9-10-23(14)13-19(24)16-7-8-17(20)18(21)11-16;/h2-11H,12-13H2,1H3;1H/q+1;/p-1