1-(4-chlorophenyl)-2-(2-methyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-chlorophenyl)-2-(2-methyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanone bromide Openeye Name: 2-(3-allyl-2-methyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-(2-methyl-3-prop-2-enyl-1-benzimidazol-1-iumyl)ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-(2-methyl-3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone bromide Traditional Name: 2-(3-allyl-2-methyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Formula: C19H18BrClN2O MolecularWeight: 405.71602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1CC=C)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1CC=C)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C19H18ClN2O.BrH/c1-3-12-21-14(2)22(18-7-5-4-6-17(18)21)13-19(23)15-8-10-16(20)11-9-15;/h3-11H,1,12-13H2,2H3;1H/q+1;/p-1