3-(4-pyridin-4-ylpyridin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(4-pyridin-4-ylpyridin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-[4-(4-pyridyl)pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-(4-pyridin-4-yl-1-pyridin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(4-pyridin-4-ylpyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-[4-(4-pyridyl)pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CN=CC=C1C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C13H14N2O3S/c16-19(17,18)11-1-8-15-9-4-13(5-10-15)12-2-6-14-7-3-12/h2-7,9-10H,1,8,11H2