2-pyridin-1-ium-1-ylethyl ethanoate ethanoate

Systemtic Name: 2-pyridin-1-ium-1-ylethyl ethanoate ethanoate Openeye Name: 2-pyridin-1-ium-1-ylethyl acetate acetate CAS Name: acetic acid 2-(1-pyridin-1-iumyl)ethyl ester acetate IUPAC Name: 2-pyridin-1-ium-1-ylethyl acetate acetate Traditional Name: acetic acid 2-pyridin-1-ium-1-ylethyl ester acetate Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)OCC[N+]1=CC=CC=C1

Isomeric SMILES

CC(=O)[O-].CC(=O)OCC[N+]1=CC=CC=C1

InChI

InChI=1S/C9H12NO2.C2H4O2/c1-9(11)12-8-7-10-5-3-2-4-6-10;1-2(3)4/h2-6H,7-8H2,1H3;1H3,(H,3,4)/q+1;/p-1