4-methyl-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide chloride

Systemtic Name: 4-methyl-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide chloride Openeye Name: 4-methyl-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide chloride CAS Name: 4-methyl-N-(3-pyridin-1-iumylmethyl)benzenesulfonamide chloride IUPAC Name: 4-methyl-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide chloride Traditional Name: 4-methyl-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide chloride Formula: C13H15ClN2O2S MolecularWeight: 298.7884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=C[NH+]=CC=C2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=C[NH+]=CC=C2.[Cl-]

InChI

InChI=1S/C13H14N2O2S.ClH/c1-11-4-6-13(7-5-11)18(16,17)15-10-12-3-2-8-14-9-12;/h2-9,15H,10H2,1H3;1H