2-(2-ethyl-6-methyl-pyridin-1-ium-3-yl)oxyethanoic acid

Systemtic Name: 2-(2-ethyl-6-methyl-pyridin-1-ium-3-yl)oxyethanoic acid Openeye Name: 2-(2-ethyl-6-methyl-pyridin-1-ium-3-yl)oxyacetic acid CAS Name: 2-[(2-ethyl-6-methyl-3-pyridin-1-iumyl)oxy]acetic acid IUPAC Name: 2-(2-ethyl-6-methylpyridin-1-ium-3-yl)oxyacetic acid Traditional Name: 2-(2-ethyl-6-methyl-pyridin-1-ium-3-yl)oxyacetic acid Formula: C10H14NO3+ MolecularWeight: 196.22306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=[NH+]1)C)OCC(=O)O

Isomeric SMILES

CCC1=C(C=CC(=[NH+]1)C)OCC(=O)O

InChI

InChI=1S/C10H13NO3/c1-3-8-9(14-6-10(12)13)5-4-7(2)11-8/h4-5H,3,6H2,1-2H3,(H,12,13)/p+1