methyl 2-[1-(2-oxidanylidenepropyl)pyridin-1-ium-3-yl]oxyethanoate

Systemtic Name: methyl 2-[1-(2-oxidanylidenepropyl)pyridin-1-ium-3-yl]oxyethanoate Openeye Name: methyl 2-(1-acetonylpyridin-1-ium-3-yl)oxyacetate CAS Name: 2-[[1-(2-oxopropyl)-3-pyridin-1-iumyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-oxopropyl)pyridin-1-ium-3-yl]oxyacetate Traditional Name: 2-(1-acetonylpyridin-1-ium-3-yl)oxyacetic acid methyl ester Formula: C11H14NO4+ MolecularWeight: 224.23316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CC=CC(=C1)OCC(=O)OC

Isomeric SMILES

CC(=O)C[N+]1=CC=CC(=C1)OCC(=O)OC

InChI

InChI=1S/C11H14NO4/c1-9(13)6-12-5-3-4-10(7-12)16-8-11(14)15-2/h3-5,7H,6,8H2,1-2H3/q+1