3-(3-bromanylpyridin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(3-bromanylpyridin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(3-bromopyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(3-bromo-1-pyridin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(3-bromopyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(3-bromopyridin-1-ium-1-yl)propane-1-sulfonate Formula: C8H10BrNO3S MolecularWeight: 280.1389

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])Br

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])Br

InChI

InChI=1S/C8H10BrNO3S/c9-8-3-1-4-10(7-8)5-2-6-14(11,12)13/h1,3-4,7H,2,5-6H2