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

Systemtic Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-methyl-pyridin-1-ium iodide Openeye Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-methyl-pyridin-1-ium iodide CAS Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-methylpyridin-1-ium iodide IUPAC Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-methylpyridin-1-ium iodide Traditional Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-methyl-pyridin-1-ium iodide Formula: C15H14INO2 MolecularWeight: 367.18163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=CC3=C(C=C2)OCO3.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C15H14NO2.HI/c1-16-8-6-12(7-9-16)2-3-13-4-5-14-15(10-13)18-11-17-14;/h2-10H,11H2,1H3;1H/q+1;/p-1/b3-2+;