(2-oxidanylidene-3-pyridin-1-ium-1-yl-propyl) ethanoate chloride

Systemtic Name: (2-oxidanylidene-3-pyridin-1-ium-1-yl-propyl) ethanoate chloride Openeye Name: (2-oxo-3-pyridin-1-ium-1-yl-propyl) acetate chloride CAS Name: acetic acid [2-oxo-3-(1-pyridin-1-iumyl)propyl] ester chloride IUPAC Name: (2-oxo-3-pyridin-1-ium-1-ylpropyl) acetate chloride Traditional Name: acetic acid (2-keto-3-pyridin-1-ium-1-yl-propyl) ester chloride Formula: C10H12ClNO3 MolecularWeight: 229.66018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12NO3.ClH/c1-9(12)14-8-10(13)7-11-5-3-2-4-6-11;/h2-6H,7-8H2,1H3;1H/q+1;/p-1