2,6-bis[(E)-2-(5-bromanylfuran-2-yl)ethenyl]-1-methyl-pyridin-1-ium iodide

Systemtic Name: 2,6-bis[(E)-2-(5-bromanylfuran-2-yl)ethenyl]-1-methyl-pyridin-1-ium iodide Openeye Name: 2,6-bis[(E)-2-(5-bromo-2-furyl)vinyl]-1-methyl-pyridin-1-ium iodide CAS Name: 2,6-bis[(E)-2-(5-bromo-2-furanyl)ethenyl]-1-methylpyridin-1-ium iodide IUPAC Name: 2,6-bis[(E)-2-(5-bromofuran-2-yl)ethenyl]-1-methylpyridin-1-ium iodide Traditional Name: 2,6-bis[(E)-2-(5-bromo-2-furyl)vinyl]-1-methyl-pyridin-1-ium iodide Formula: C18H14Br2INO2 MolecularWeight: 563.02173

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC=C1C=CC2=CC=C(O2)Br)C=CC3=CC=C(O3)Br.[I-]

Isomeric SMILES

C[N+]1=C(C=CC=C1/C=C/C2=CC=C(O2)Br)/C=C/C3=CC=C(O3)Br.[I-]

InChI

InChI=1S/C18H14Br2NO2.HI/c1-21-13(5-7-15-9-11-17(19)22-15)3-2-4-14(21)6-8-16-10-12-18(20)23-16;/h2-12H,1H3;1H/q+1;/p-1/b7-5+,8-6+;