2-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-1-methyl-pyridin-1-ium

Systemtic Name: 2-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-1-methyl-pyridin-1-ium CAS Name: 2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1-methylpyridin-1-ium IUPAC Name: 2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1-methylpyridin-1-ium Traditional Name: 2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-1-methyl-pyridin-1-ium Formula: C15H13BrNO2+ MolecularWeight: 319.17322

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C15H13BrNO2/c1-17-7-3-2-4-12(17)6-5-11-8-14-15(9-13(11)16)19-10-18-14/h2-9H,10H2,1H3/q+1/b6-5+