4-methyl-2-pyridin-1-ium-1-yl-benzenesulfonic acid

Systemtic Name: 4-methyl-2-pyridin-1-ium-1-yl-benzenesulfonic acid Openeye Name: 4-methyl-2-pyridin-1-ium-1-yl-benzenesulfonic acid CAS Name: 4-methyl-2-(1-pyridin-1-iumyl)benzenesulfonic acid IUPAC Name: 4-methyl-2-pyridin-1-ium-1-ylbenzenesulfonic acid Traditional Name: 4-methyl-2-pyridin-1-ium-1-yl-besylic acid Formula: C12H12NO3S+ MolecularWeight: 250.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)[N+]2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)[N+]2=CC=CC=C2

InChI

InChI=1S/C12H11NO3S/c1-10-5-6-12(17(14,15)16)11(9-10)13-7-3-2-4-8-13/h2-9H,1H3/p+1