1,2-diethylpyridin-1-ium-3-carboxylic acid

Systemtic Name: 1,2-diethylpyridin-1-ium-3-carboxylic acid Openeye Name: 1,2-diethylpyridin-1-ium-3-carboxylic acid CAS Name: 1,2-diethyl-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1,2-diethylpyridin-1-ium-3-carboxylic acid Traditional Name: 1,2-diethylpyridin-1-ium-3-carboxylic acid Formula: C10H14NO2+ MolecularWeight: 180.22366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=[N+]1CC)C(=O)O

Isomeric SMILES

CCC1=C(C=CC=[N+]1CC)C(=O)O

InChI

InChI=1S/C10H13NO2/c1-3-9-8(10(12)13)6-5-7-11(9)4-2/h5-7H,3-4H2,1-2H3/p+1