(E)-1-(2,4-dimethoxyphenyl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide

Systemtic Name: (E)-1-(2,4-dimethoxyphenyl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide Openeye Name: (E)-1-(2,4-dimethoxyphenyl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide CAS Name: (E)-1-(2,4-dimethoxyphenyl)-3-(1-methyl-4-pyridin-1-iumyl)-2-propen-1-one iodide IUPAC Name: (E)-1-(2,4-dimethoxyphenyl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide Traditional Name: (E)-1-(2,4-dimethoxyphenyl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide Formula: C17H18INO3 MolecularWeight: 411.23419

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OC)OC.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)OC.[I-]

InChI

InChI=1S/C17H18NO3.HI/c1-18-10-8-13(9-11-18)4-7-16(19)15-6-5-14(20-2)12-17(15)21-3;/h4-12H,1-3H3;1H/q+1;/p-1/b7-4+;