(2Z)-3-ethyl-2-[(1-ethylpyrimidin-1-ium-4-yl)methylidene]-1,3-benzothiazole

Systemtic Name: (2Z)-3-ethyl-2-[(1-ethylpyrimidin-1-ium-4-yl)methylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-ethyl-2-[(1-ethylpyrimidin-1-ium-4-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-4-pyrimidin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-ethyl-2-[(1-ethylpyrimidin-1-ium-4-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-ethyl-2-[(1-ethylpyrimidin-1-ium-4-yl)methylene]-1,3-benzothiazole Formula: C16H18N3S+ MolecularWeight: 284.39922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=NC=[N+](C=C3)CC

Isomeric SMILES

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

InChI

InChI=1S/C16H18N3S/c1-3-18-10-9-13(17-12-18)11-16-19(4-2)14-7-5-6-8-15(14)20-16/h5-12H,3-4H2,1-2H3/q+1