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

Systemtic Name: (2,3-dimethyl-4-propan-2-yloxy-pyridin-1-ium-1-yl) ethanoate ethanoate Openeye Name: (4-isopropoxy-2,3-dimethyl-pyridin-1-ium-1-yl) acetate acetate CAS Name: acetic acid (2,3-dimethyl-4-propan-2-yloxy-1-pyridin-1-iumyl) ester acetate IUPAC Name: (2,3-dimethyl-4-propan-2-yloxypyridin-1-ium-1-yl) acetate acetate Traditional Name: acetic acid (4-isopropoxy-2,3-dimethyl-pyridin-1-ium-1-yl) ester acetate Formula: C14H21NO5 MolecularWeight: 283.32024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1C)OC(=O)C)OC(C)C.CC(=O)[O-]

Isomeric SMILES

CC1=C(C=C[N+](=C1C)OC(=O)C)OC(C)C.CC(=O)[O-]

InChI

InChI=1S/C12H18NO3.C2H4O2/c1-8(2)15-12-6-7-13(16-11(5)14)10(4)9(12)3;1-2(3)4/h6-8H,1-5H3;1H3,(H,3,4)/q+1;/p-1