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1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-2-carbaldehyde bromide

1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-2-carbaldehyde bromide

Systemtic Name:1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-2-carbaldehyde bromide
Openeye Name:1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-2-carbaldehyde bromide
CAS Name:1-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-1-iumcarboxaldehyde bromide
IUPAC Name:1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-2-carbaldehyde bromide
Traditional Name:1-piperonylpyridin-1-ium-2-carbaldehyde bromide
Formula: C14H12BrNO3
MolecularWeight: 322.15398
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[N+]3=CC=CC=C3C=O.[Br-]


Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[N+]3=CC=CC=C3C=O.[Br-]


InChI

InChI=1S/C14H12NO3.BrH/c16-9-12-3-1-2-6-15(12)8-11-4-5-13-14(7-11)18-10-17-13;/h1-7,9H,8,10H2;1H/q+1;/p-1


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