3-[2-(acetyloxymethyl)pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-(acetyloxymethyl)pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-(acetoxymethyl)pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-(acetyloxymethyl)-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-(acetyloxymethyl)pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-(acetoxymethyl)pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=CC=[N+]1CCCS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)OCC1=CC=CC=[N+]1CCCS(=O)(=O)[O-]

InChI

InChI=1S/C11H15NO5S/c1-10(13)17-9-11-5-2-3-6-12(11)7-4-8-18(14,15)16/h2-3,5-6H,4,7-9H2,1H3