6-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridin-1-ium-3-sulfonamide Openeye Name: 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridin-1-ium-3-sulfonamide CAS Name: 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-3-pyridin-1-iumsulfonamide IUPAC Name: 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridin-1-ium-3-sulfonamide Traditional Name: 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridin-1-ium-3-sulfonamide Formula: C12H13N6O2S+ MolecularWeight: 305.33562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN=C(N2C=C1)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC2=NN=C(N2C=C1)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C12H12N6O2S/c13-21(19,20)9-4-5-10(14-7-9)15-8-12-17-16-11-3-1-2-6-18(11)12/h1-7H,8H2,(H,14,15)(H2,13,19,20)/p+1