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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-ethyl-pyridin-1-ium iodide Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-ethyl-pyridin-1-ium iodide CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-ethylpyridin-1-ium iodide IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-ethylpyridin-1-ium iodide Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-ethyl-pyridin-1-ium iodide Formula: C16H16INO2 MolecularWeight: 381.20821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO2.HI/c1-2-17-10-4-3-5-14(17)8-6-13-7-9-15-16(11-13)19-12-18-15;/h3-11H,2,12H2,1H3;1H/q+1;/p-1/b8-6+;