3-methyl-2-(4-methylpyridin-2-yl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-(4-methylpyridin-2-yl)-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-(4-methyl-2-pyridyl)-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-(4-methyl-2-pyridinyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-(4-methylpyridin-2-yl)-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-(4-methyl-2-pyridyl)-1,3-benzothiazol-3-ium Formula: C14H13N2S+ MolecularWeight: 241.33142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=[N+](C3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=NC=C1)C2=[N+](C3=CC=CC=C3S2)C

InChI

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