3-iodyl-1-octyl-pyridin-1-ium-4-carboxylate

Systemtic Name: 3-iodyl-1-octyl-pyridin-1-ium-4-carboxylate Openeye Name: 3-iodyl-1-octyl-pyridin-1-ium-4-carboxylate CAS Name: 3-iodyl-1-octyl-4-pyridin-1-iumcarboxylate IUPAC Name: 3-iodyl-1-octylpyridin-1-ium-4-carboxylate Traditional Name: 3-iodyl-1-octyl-pyridin-1-ium-4-carboxylate Formula: C14H20INO4 MolecularWeight: 393.21737

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC(=C(C=C1)C(=O)[O-])I(=O)=O

Isomeric SMILES

CCCCCCCC[N+]1=CC(=C(C=C1)C(=O)[O-])I(=O)=O

InChI

InChI=1S/C14H20INO4/c1-2-3-4-5-6-7-9-16-10-8-12(14(17)18)13(11-16)15(19)20/h8,10-11H,2-7,9H2,1H3