(2Z)-2-[(1-butan-2-yl-2,6-dimethyl-pyridin-1-ium-4-yl)methylidene]-3-ethyl-1,3-benzothiazole iodide

Systemtic Name: (2Z)-2-[(1-butan-2-yl-2,6-dimethyl-pyridin-1-ium-4-yl)methylidene]-3-ethyl-1,3-benzothiazole iodide Openeye Name: (2Z)-2-[(2,6-dimethyl-1-sec-butyl-pyridin-1-ium-4-yl)methylene]-3-ethyl-1,3-benzothiazole iodide CAS Name: (2Z)-2-[(1-butan-2-yl-2,6-dimethyl-4-pyridin-1-iumyl)methylidene]-3-ethyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-2-[(1-butan-2-yl-2,6-dimethylpyridin-1-ium-4-yl)methylidene]-3-ethyl-1,3-benzothiazole iodide Traditional Name: (2Z)-2-[(2,6-dimethyl-1-sec-butyl-pyridin-1-ium-4-yl)methylene]-3-ethyl-1,3-benzothiazole iodide Formula: C21H27IN2S MolecularWeight: 466.42195

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+]1=C(C=C(C=C1C)C=C2N(C3=CC=CC=C3S2)CC)C.[I-]

Isomeric SMILES

CCC(C)[N+]1=C(C=C(C=C1C)/C=C\2/N(C3=CC=CC=C3S2)CC)C.[I-]

InChI

InChI=1S/C21H27N2S.HI/c1-6-15(3)23-16(4)12-18(13-17(23)5)14-21-22(7-2)19-10-8-9-11-20(19)24-21;/h8-15H,6-7H2,1-5H3;1H/q+1;/p-1