2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-hexyl-pyridin-1-ium iodide

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-hexyl-pyridin-1-ium iodide Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-hexyl-pyridin-1-ium iodide CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-hexylpyridin-1-ium iodide IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-hexylpyridin-1-ium iodide Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-hexyl-pyridin-1-ium iodide Formula: C20H24INO2 MolecularWeight: 437.31453

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CC=CC=C1C=CC2=CC3=C(C=C2)OCO3.[I-]

Isomeric SMILES

CCCCCC[N+]1=CC=CC=C1/C=C/C2=CC3=C(C=C2)OCO3.[I-]

InChI

InChI=1S/C20H24NO2.HI/c1-2-3-4-6-13-21-14-7-5-8-18(21)11-9-17-10-12-19-20(15-17)23-16-22-19;/h5,7-12,14-15H,2-4,6,13,16H2,1H3;1H/q+1;/p-1/b11-9+;