1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium-2-amine

Systemtic Name: 1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium-2-amine Openeye Name: 1-(p-tolylsulfonylmethyl)pyridin-1-ium-2-amine CAS Name: 1-[(4-methylphenyl)sulfonylmethyl]-2-pyridin-1-iumamine IUPAC Name: 1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium-2-amine Traditional Name: [1-(tosylmethyl)pyridin-1-ium-2-yl]amine Formula: C13H15N2O2S+ MolecularWeight: 263.3354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC=CC=C2N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC=CC=C2N

InChI

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