2-(pyridin-1-ium-1-ylmethyl)benzenesulfonic acid

Systemtic Name: 2-(pyridin-1-ium-1-ylmethyl)benzenesulfonic acid Openeye Name: 2-(pyridin-1-ium-1-ylmethyl)benzenesulfonic acid CAS Name: 2-(1-pyridin-1-iumylmethyl)benzenesulfonic acid IUPAC Name: 2-(pyridin-1-ium-1-ylmethyl)benzenesulfonic acid Traditional Name: 2-(pyridin-1-ium-1-ylmethyl)besylic acid Formula: C12H12NO3S+ MolecularWeight: 250.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC=CC=C2S(=O)(=O)O

InChI

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