1-(4-methoxyphenyl)-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone bromide Openeye Name: 2-(3-allylbenzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-(3-prop-2-enyl-1-benzimidazol-1-iumyl)ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone bromide Traditional Name: 2-(3-allylbenzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C19H19BrN2O2 MolecularWeight: 387.27036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(C3=CC=CC=C32)CC=C.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(C3=CC=CC=C32)CC=C.[Br-]

InChI

InChI=1S/C19H19N2O2.BrH/c1-3-12-20-14-21(18-7-5-4-6-17(18)20)13-19(22)15-8-10-16(23-2)11-9-15;/h3-11,14H,1,12-13H2,2H3;1H/q+1;/p-1