1-hexylpyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-hexylpyridin-1-ium-3-carboxylic acid Openeye Name: 1-hexylpyridin-1-ium-3-carboxylic acid CAS Name: 1-hexyl-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-hexylpyridin-1-ium-3-carboxylic acid Traditional Name: 1-hexylpyridin-1-ium-3-carboxylic acid Formula: C12H18NO2+ MolecularWeight: 208.27682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCCC[N+]1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H17NO2/c1-2-3-4-5-8-13-9-6-7-11(10-13)12(14)15/h6-7,9-10H,2-5,8H2,1H3/p+1