2-(1,6-dimethylpyridin-1-ium-3-yl)-1,3-benzothiazole

Systemtic Name: 2-(1,6-dimethylpyridin-1-ium-3-yl)-1,3-benzothiazole Openeye Name: 2-(1,6-dimethylpyridin-1-ium-3-yl)-1,3-benzothiazole CAS Name: 2-(1,6-dimethyl-3-pyridin-1-iumyl)-1,3-benzothiazole IUPAC Name: 2-(1,6-dimethylpyridin-1-ium-3-yl)-1,3-benzothiazole Traditional Name: 2-(1,6-dimethylpyridin-1-ium-3-yl)-1,3-benzothiazole Formula: C14H13N2S+ MolecularWeight: 241.33142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=[N+](C=C(C=C1)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C14H13N2S/c1-10-7-8-11(9-16(10)2)14-15-12-5-3-4-6-13(12)17-14/h3-9H,1-2H3/q+1