1-(phenylmethyl)pyridin-1-ium-2-sulfonate

Systemtic Name: 1-(phenylmethyl)pyridin-1-ium-2-sulfonate Openeye Name: 1-benzylpyridin-1-ium-2-sulfonate CAS Name: 1-(phenylmethyl)-2-pyridin-1-iumsulfonate IUPAC Name: 1-benzylpyridin-1-ium-2-sulfonate Traditional Name: 1-benzylpyridin-1-ium-2-sulfonate Formula: C12H11NO3S MolecularWeight: 249.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC=C2S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC=C2S(=O)(=O)[O-]

InChI

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