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

Systemtic Name: 7-methyl-4-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole chloride Openeye Name: 7-methyl-4-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole chloride CAS Name: 7-methyl-4-(1-pyridin-1-iumylmethyl)-2,1,3-benzothiadiazole chloride IUPAC Name: 7-methyl-4-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole chloride Traditional Name: 4-methyl-7-(pyridin-1-ium-1-ylmethyl)piazthiole chloride Formula: C13H12ClN3S MolecularWeight: 277.77248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=NSN=C12)C[N+]3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC=C(C2=NSN=C12)C[N+]3=CC=CC=C3.[Cl-]

InChI

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