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

Systemtic Name: (2Z)-2-[(1-cyclohexyl-2,6-dimethyl-pyridin-1-ium-4-yl)methylidene]-3-ethyl-1,3-benzothiazole iodide Openeye Name: (2Z)-2-[(1-cyclohexyl-2,6-dimethyl-pyridin-1-ium-4-yl)methylene]-3-ethyl-1,3-benzothiazole iodide CAS Name: (2Z)-2-[(1-cyclohexyl-2,6-dimethyl-4-pyridin-1-iumyl)methylidene]-3-ethyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-2-[(1-cyclohexyl-2,6-dimethylpyridin-1-ium-4-yl)methylidene]-3-ethyl-1,3-benzothiazole iodide Traditional Name: (2Z)-2-[(1-cyclohexyl-2,6-dimethyl-pyridin-1-ium-4-yl)methylene]-3-ethyl-1,3-benzothiazole iodide Formula: C23H29IN2S MolecularWeight: 492.45923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC(=[N+](C(=C3)C)C4CCCCC4)C.[I-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=CC(=[N+](C(=C3)C)C4CCCCC4)C.[I-]

InChI

InChI=1S/C23H29N2S.HI/c1-4-24-21-12-8-9-13-22(21)26-23(24)16-19-14-17(2)25(18(3)15-19)20-10-6-5-7-11-20;/h8-9,12-16,20H,4-7,10-11H2,1-3H3;1H/q+1;/p-1