1-(2,4-dimethoxyphenyl)-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,4-dimethoxyphenyl)-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone Openeye Name: 2-(3-allylbenzimidazol-1-ium-1-yl)-1-(2,4-dimethoxyphenyl)ethanone CAS Name: 1-(2,4-dimethoxyphenyl)-2-(3-prop-2-enyl-1-benzimidazol-1-iumyl)ethanone IUPAC Name: 1-(2,4-dimethoxyphenyl)-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone Traditional Name: 2-(3-allylbenzimidazol-1-ium-1-yl)-1-(2,4-dimethoxyphenyl)ethanone Formula: C20H21N2O3+ MolecularWeight: 337.39234

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N2O3/c1-4-11-21-14-22(18-8-6-5-7-17(18)21)13-19(23)16-10-9-15(24-2)12-20(16)25-3/h4-10,12,14H,1,11,13H2,2-3H3/q+1