5-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole

Systemtic Name: 5-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole Openeye Name: 5-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole CAS Name: 5-(1-pyridin-1-iumylmethyl)-2,1,3-benzothiadiazole IUPAC Name: 5-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole Traditional Name: 5-(pyridin-1-ium-1-ylmethyl)piazthiole Formula: C12H10N3S+ MolecularWeight: 228.2929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC3=NSN=C3C=C2

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C12H10N3S/c1-2-6-15(7-3-1)9-10-4-5-11-12(8-10)14-16-13-11/h1-8H,9H2/q+1