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

Systemtic Name: 3-[2-(acetyloxymethyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-(acetoxymethyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-(acetyloxymethyl)-1-pyridin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[2-(acetyloxymethyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-(acetoxymethyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Formula: C11H16NO5S+ MolecularWeight: 274.31344

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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/p+1