2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1-hexyl-pyridin-1-ium iodide

Systemtic Name: 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1-hexyl-pyridin-1-ium iodide Openeye Name: 2-[(E)-2-(2,4-dimethoxyphenyl)vinyl]-1-hexyl-pyridin-1-ium iodide CAS Name: 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1-hexylpyridin-1-ium iodide IUPAC Name: 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1-hexylpyridin-1-ium iodide Traditional Name: 2-[(E)-2-(2,4-dimethoxyphenyl)vinyl]-1-hexyl-pyridin-1-ium iodide Formula: C21H28INO2 MolecularWeight: 453.35699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CC=CC=C1C=CC2=C(C=C(C=C2)OC)OC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C21H28NO2.HI/c1-4-5-6-8-15-22-16-9-7-10-19(22)13-11-18-12-14-20(23-2)17-21(18)24-3;/h7,9-14,16-17H,4-6,8,15H2,1-3H3;1H/q+1;/p-1/b13-11+;