(2E,6E)-2,6-bis[(1-methylpyridin-1-ium-4-yl)methylidene]cyclohexan-1-ol diiodide

Systemtic Name: (2E,6E)-2,6-bis[(1-methylpyridin-1-ium-4-yl)methylidene]cyclohexan-1-ol diiodide Openeye Name: (2E,6E)-2,6-bis[(1-methylpyridin-1-ium-4-yl)methylene]cyclohexanol diiodide CAS Name: (2E,6E)-2,6-bis[(1-methyl-4-pyridin-1-iumyl)methylidene]-1-cyclohexanol diiodide IUPAC Name: (2E,6E)-2,6-bis[(1-methylpyridin-1-ium-4-yl)methylidene]cyclohexan-1-ol diiodide Traditional Name: (2E,6E)-2,6-bis[(1-methylpyridin-1-ium-4-yl)methylene]cyclohexanol diiodide Formula: C20H24I2N2O MolecularWeight: 562.2263

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=C2CCCC(=CC3=CC=[N+](C=C3)C)C2O.[I-].[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C\2/C(/C(=C/C3=CC=[N+](C=C3)C)/CCC2)O.[I-].[I-]

InChI

InChI=1S/C20H24N2O.2HI/c1-21-10-6-16(7-11-21)14-18-4-3-5-19(20(18)23)15-17-8-12-22(2)13-9-17;;/h6-15,20,23H,3-5H2,1-2H3;2*1H/q+2;;/p-2/b18-14+,19-15+;;