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

Systemtic Name: 1-(phenylmethyl)-2H-pyridin-1-ium-1-sulfonate Openeye Name: 1-benzyl-2H-pyridin-1-ium-1-sulfonate CAS Name: 1-(phenylmethyl)-2H-pyridin-1-ium-1-sulfonate IUPAC Name: 1-benzyl-2H-pyridin-1-ium-1-sulfonate Traditional Name: 1-benzyl-2H-pyridin-1-ium-1-sulfonate Formula: C12H13NO3S MolecularWeight: 251.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C[N+]1(CC2=CC=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1C=CC=C[N+]1(CC2=CC=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C12H13NO3S/c14-17(15,16)13(9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-9H,10-11H2