4-[[(6-azanylpyridin-1-ium-3-yl)amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[(6-azanylpyridin-1-ium-3-yl)amino]methyl]benzenesulfonamide Openeye Name: 4-[[(6-aminopyridin-1-ium-3-yl)amino]methyl]benzenesulfonamide CAS Name: 4-[[(6-amino-3-pyridin-1-iumyl)amino]methyl]benzenesulfonamide IUPAC Name: 4-[[(6-aminopyridin-1-ium-3-yl)amino]methyl]benzenesulfonamide Traditional Name: 4-[[(6-aminopyridin-1-ium-3-yl)amino]methyl]benzenesulfonamide Formula: C12H15N4O2S+ MolecularWeight: 279.3381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C[NH+]=C(C=C2)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=C[NH+]=C(C=C2)N)S(=O)(=O)N

InChI

InChI=1S/C12H14N4O2S/c13-12-6-3-10(8-16-12)15-7-9-1-4-11(5-2-9)19(14,17)18/h1-6,8,15H,7H2,(H2,13,16)(H2,14,17,18)/p+1