6-methyl-4-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole

Systemtic Name: 6-methyl-4-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole Openeye Name: 6-methyl-4-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole CAS Name: 6-methyl-4-(1-pyridin-1-iumylmethyl)-2,1,3-benzothiadiazole IUPAC Name: 6-methyl-4-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole Traditional Name: 6-methyl-4-(pyridin-1-ium-1-ylmethyl)piazthiole Formula: C13H12N3S+ MolecularWeight: 242.31948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NSN=C2C(=C1)C[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC2=NSN=C2C(=C1)C[N+]3=CC=CC=C3

InChI

InChI=1S/C13H12N3S/c1-10-7-11(9-16-5-3-2-4-6-16)13-12(8-10)14-17-15-13/h2-8H,9H2,1H3/q+1