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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14NO2.HI/c1-16-9-3-2-4-13(16)7-5-12-6-8-14-15(10-12)18-11-17-14;/h2-10H,11H2,1H3;1H/q+1;/p-1/b7-5-;