3-[(1E)-buta-1,3-dienyl]pyridin-1-ium ethanoate

Systemtic Name: 3-[(1E)-buta-1,3-dienyl]pyridin-1-ium ethanoate Openeye Name: 3-[(1E)-buta-1,3-dienyl]pyridin-1-ium acetate CAS Name: 3-[(1E)-buta-1,3-dienyl]pyridin-1-ium acetate IUPAC Name: 3-[(1E)-buta-1,3-dienyl]pyridin-1-ium acetate Traditional Name: 3-[(1E)-buta-1,3-dienyl]pyridin-1-ium acetate Formula: C11H13NO2 MolecularWeight: 191.22642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C=CC=CC1=C[NH+]=CC=C1

Isomeric SMILES

CC(=O)[O-].C=C/C=C/C1=C[NH+]=CC=C1

InChI

InChI=1S/C9H9N.C2H4O2/c1-2-3-5-9-6-4-7-10-8-9;1-2(3)4/h2-8H,1H2;1H3,(H,3,4)/b5-3+;