1-phenyl-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-phenyl-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone bromide Openeye Name: 2-(3-allylbenzimidazol-1-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 1-phenyl-2-(3-prop-2-enyl-1-benzimidazol-1-iumyl)ethanone bromide IUPAC Name: 1-phenyl-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone bromide Traditional Name: 2-(3-allylbenzimidazol-1-ium-1-yl)-1-phenyl-ethanone bromide Formula: C18H17BrN2O MolecularWeight: 357.24438

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C=CCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H17N2O.BrH/c1-2-12-19-14-20(17-11-7-6-10-16(17)19)13-18(21)15-8-4-3-5-9-15;/h2-11,14H,1,12-13H2;1H/q+1;/p-1