2-(3-butan-2-ylimidazol-1-ium-1-yl)-1-(3,5-diethoxyphenyl)ethanone chloride

Systemtic Name: 2-(3-butan-2-ylimidazol-1-ium-1-yl)-1-(3,5-diethoxyphenyl)ethanone chloride Openeye Name: 1-(3,5-diethoxyphenyl)-2-(3-sec-butylimidazol-1-ium-1-yl)ethanone chloride CAS Name: 2-(3-butan-2-yl-1-imidazol-1-iumyl)-1-(3,5-diethoxyphenyl)ethanone chloride IUPAC Name: 2-(3-butan-2-ylimidazol-1-ium-1-yl)-1-(3,5-diethoxyphenyl)ethanone chloride Traditional Name: 1-(3,5-diethoxyphenyl)-2-(3-sec-butylimidazol-1-ium-1-yl)ethanone chloride Formula: C19H27ClN2O3 MolecularWeight: 366.88228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C[N+](=C1)CC(=O)C2=CC(=CC(=C2)OCC)OCC.[Cl-]

Isomeric SMILES

CCC(C)N1C=C[N+](=C1)CC(=O)C2=CC(=CC(=C2)OCC)OCC.[Cl-]

InChI

InChI=1S/C19H27N2O3.ClH/c1-5-15(4)21-9-8-20(14-21)13-19(22)16-10-17(23-6-2)12-18(11-16)24-7-3;/h8-12,14-15H,5-7,13H2,1-4H3;1H/q+1;/p-1