1-[1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3-yl]ethanone bromide

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3-yl]ethanone bromide Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3-yl]ethanone bromide CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3-yl]ethanone bromide Traditional Name: 1-(1-piperonylpyridin-1-ium-3-yl)ethanone bromide Formula: C15H14BrNO3 MolecularWeight: 336.18056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC2=CC3=C(C=C2)OCO3.[Br-]

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC2=CC3=C(C=C2)OCO3.[Br-]

InChI

InChI=1S/C15H14NO3.BrH/c1-11(17)13-3-2-6-16(9-13)8-12-4-5-14-15(7-12)19-10-18-14;/h2-7,9H,8,10H2,1H3;1H/q+1;/p-1