1-(1,3-benzodioxol-5-yl)-2-pyridin-1-ium-1-yl-ethanol bromide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-pyridin-1-ium-1-yl-ethanol bromide Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-pyridin-1-ium-1-yl-ethanol bromide CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(1-pyridin-1-iumyl)ethanol bromide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-pyridin-1-ium-1-ylethanol bromide Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-pyridin-1-ium-1-yl-ethanol bromide Formula: C14H14BrNO3 MolecularWeight: 324.16986

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[N+]3=CC=CC=C3)O.[Br-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C[N+]3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C14H14NO3.BrH/c16-12(9-15-6-2-1-3-7-15)11-4-5-13-14(8-11)18-10-17-13;/h1-8,12,16H,9-10H2;1H/q+1;/p-1