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

Systemtic Name: 6-methyl-4-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole chloride Openeye Name: 6-methyl-4-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole chloride CAS Name: 6-methyl-4-(1-pyridin-1-iumylmethyl)-2,1,3-benzothiadiazole chloride IUPAC Name: 6-methyl-4-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole chloride Traditional Name: 6-methyl-4-(pyridin-1-ium-1-ylmethyl)piazthiole chloride Formula: C13H12ClN3S MolecularWeight: 277.77248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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