5-octyl-1-oxidanidyl-pyridin-1-ium-2-carboxylic acid

Systemtic Name: 5-octyl-1-oxidanidyl-pyridin-1-ium-2-carboxylic acid Openeye Name: 5-octyl-1-oxido-pyridin-1-ium-2-carboxylic acid CAS Name: 5-octyl-1-oxido-2-pyridin-1-iumcarboxylic acid IUPAC Name: 5-octyl-1-oxidopyridin-1-ium-2-carboxylic acid Traditional Name: 5-octyl-1-oxido-pyridin-1-ium-2-carboxylic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C[N+](=C(C=C1)C(=O)O)[O-]

Isomeric SMILES

CCCCCCCCC1=C[N+](=C(C=C1)C(=O)O)[O-]

InChI

InChI=1S/C14H21NO3/c1-2-3-4-5-6-7-8-12-9-10-13(14(16)17)15(18)11-12/h9-11H,2-8H2,1H3,(H,16,17)