(4-ethoxy-2,3-dimethyl-pyridin-1-ium-1-yl) ethanoate ethanoate

Systemtic Name: (4-ethoxy-2,3-dimethyl-pyridin-1-ium-1-yl) ethanoate ethanoate Openeye Name: (4-ethoxy-2,3-dimethyl-pyridin-1-ium-1-yl) acetate acetate CAS Name: acetic acid (4-ethoxy-2,3-dimethyl-1-pyridin-1-iumyl) ester acetate IUPAC Name: (4-ethoxy-2,3-dimethylpyridin-1-ium-1-yl) acetate acetate Traditional Name: acetic acid (4-ethoxy-2,3-dimethyl-pyridin-1-ium-1-yl) ester acetate Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=[N+](C=C1)OC(=O)C)C)C.CC(=O)[O-]

Isomeric SMILES

CCOC1=C(C(=[N+](C=C1)OC(=O)C)C)C.CC(=O)[O-]

InChI

InChI=1S/C11H16NO3.C2H4O2/c1-5-14-11-6-7-12(15-10(4)13)9(3)8(11)2;1-2(3)4/h6-7H,5H2,1-4H3;1H3,(H,3,4)/q+1;/p-1