6-methyl-3-(4-methylsulfonylphenyl)pyridin-1-ium-2-amine

Systemtic Name: 6-methyl-3-(4-methylsulfonylphenyl)pyridin-1-ium-2-amine Openeye Name: 6-methyl-3-(4-methylsulfonylphenyl)pyridin-1-ium-2-amine CAS Name: 6-methyl-3-(4-methylsulfonylphenyl)-2-pyridin-1-iumamine IUPAC Name: 6-methyl-3-(4-methylsulfonylphenyl)pyridin-1-ium-2-amine Traditional Name: [3-(4-mesylphenyl)-6-methyl-pyridin-1-ium-2-yl]amine Formula: C13H15N2O2S+ MolecularWeight: 263.3354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S/c1-9-3-8-12(13(14)15-9)10-4-6-11(7-5-10)18(2,16)17/h3-8H,1-2H3,(H2,14,15)/p+1