1-[2-(1,3-benzodioxol-5-yl)ethyl]pyridin-1-ium bromide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]pyridin-1-ium bromide Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]pyridin-1-ium bromide CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]pyridin-1-ium bromide IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]pyridin-1-ium bromide Traditional Name: 1-homopiperonylpyridin-1-ium bromide Formula: C14H14BrNO2 MolecularWeight: 308.17046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14NO2.BrH/c1-2-7-15(8-3-1)9-6-12-4-5-13-14(10-12)17-11-16-13;/h1-5,7-8,10H,6,9,11H2;1H/q+1;/p-1