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

Systemtic Name: 2-[(Z)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-prop-2-enyl-pyridin-1-ium iodide Openeye Name: 1-allyl-2-[(Z)-2-(1,3-benzodioxol-5-yl)vinyl]pyridin-1-ium iodide CAS Name: 2-[(Z)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-prop-2-enylpyridin-1-ium iodide IUPAC Name: 2-[(Z)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-prop-2-enylpyridin-1-ium iodide Traditional Name: 1-allyl-2-[(Z)-2-(1,3-benzodioxol-5-yl)vinyl]pyridin-1-ium iodide Formula: C17H16INO2 MolecularWeight: 393.21891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16NO2.HI/c1-2-10-18-11-4-3-5-15(18)8-6-14-7-9-16-17(12-14)20-13-19-16;/h2-9,11-12H,1,10,13H2;1H/q+1;/p-1/b8-6-;