(2E)-3-ethyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole

Systemtic Name: (2E)-3-ethyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole Openeye Name: (2E)-3-ethyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylene]-1,3-benzothiazole CAS Name: (2E)-3-ethyl-2-[(1,4,6-trimethyl-2-pyrimidin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: (2E)-3-ethyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole Traditional Name: (2E)-3-ethyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylene]-1,3-benzothiazole Formula: C17H20N3S+ MolecularWeight: 298.4258

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=NC(=CC(=[N+]3C)C)C

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C3=NC(=CC(=[N+]3C)C)C

InChI

InChI=1S/C17H20N3S/c1-5-20-14-8-6-7-9-15(14)21-17(20)11-16-18-12(2)10-13(3)19(16)4/h6-11H,5H2,1-4H3/q+1