1-hexyl-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium iodide

Systemtic Name: 1-hexyl-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium iodide Openeye Name: 1-hexyl-2-[(E)-2-(2,3,4-trimethoxyphenyl)vinyl]pyridin-1-ium iodide CAS Name: 1-hexyl-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium iodide IUPAC Name: 1-hexyl-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium iodide Traditional Name: 1-hexyl-2-[(E)-2-(2,3,4-trimethoxyphenyl)vinyl]pyridin-1-ium iodide Formula: C22H30INO3 MolecularWeight: 483.38297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30NO3.HI/c1-5-6-7-9-16-23-17-10-8-11-19(23)14-12-18-13-15-20(24-2)22(26-4)21(18)25-3;/h8,10-15,17H,5-7,9,16H2,1-4H3;1H/q+1;/p-1/b14-12+;