3-(pyridin-1-ium-1-ylmethyl)benzenesulfonate

Systemtic Name: 3-(pyridin-1-ium-1-ylmethyl)benzenesulfonate Openeye Name: 3-(pyridin-1-ium-1-ylmethyl)benzenesulfonate CAS Name: 3-(1-pyridin-1-iumylmethyl)benzenesulfonate IUPAC Name: 3-(pyridin-1-ium-1-ylmethyl)benzenesulfonate Traditional Name: 3-(pyridin-1-ium-1-ylmethyl)besylate Formula: C12H11NO3S MolecularWeight: 249.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC(=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC(=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C12H11NO3S/c14-17(15,16)12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h1-9H,10H2