3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium-4-yl)propane-1-sulfonate

Systemtic Name: 3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium-4-yl)propane-1-sulfonate Openeye Name: 3-(2-methyloxazolo[4,5-b]pyridin-4-ium-4-yl)propane-1-sulfonate CAS Name: 3-(2-methyl-4-oxazolo[4,5-b]pyridin-4-iumyl)-1-propanesulfonate IUPAC Name: 3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium-4-yl)propane-1-sulfonate Traditional Name: 3-(2-methyloxazolo[4,5-b]pyridin-4-ium-4-yl)propane-1-sulfonate Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC=[N+]2CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=NC2=C(O1)C=CC=[N+]2CCCS(=O)(=O)[O-]

InChI

InChI=1S/C10H12N2O4S/c1-8-11-10-9(16-8)4-2-5-12(10)6-3-7-17(13,14)15/h2,4-5H,3,6-7H2,1H3