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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-hexyl-pyridin-1-ium Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-hexyl-pyridin-1-ium CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-hexylpyridin-1-ium IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-hexylpyridin-1-ium Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-hexyl-pyridin-1-ium Formula: C20H24NO2+ MolecularWeight: 310.41006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CC=CC=C1C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C20H24NO2/c1-2-3-4-6-13-21-14-7-5-8-18(21)11-9-17-10-12-19-20(15-17)23-16-22-19/h5,7-12,14-15H,2-4,6,13,16H2,1H3/q+1/b11-9+