4-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]benzenesulfonamide Openeye Name: 4-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]benzenesulfonamide CAS Name: 4-[[(5-methyl-2-pyridin-1-iumyl)amino]methyl]benzenesulfonamide IUPAC Name: 4-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]benzenesulfonamide Traditional Name: 4-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]benzenesulfonamide Formula: C13H16N3O2S+ MolecularWeight: 278.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C13H15N3O2S/c1-10-2-7-13(15-8-10)16-9-11-3-5-12(6-4-11)19(14,17)18/h2-8H,9H2,1H3,(H,15,16)(H2,14,17,18)/p+1