[(E)-[1-[(3-cyclohexylcarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxidanylidene-azanium diiodide

Systemtic Name: [(E)-[1-[(3-cyclohexylcarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxidanylidene-azanium diiodide Openeye Name: [(E)-[1-[[3-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]methoxymethyl]-2-pyridylidene]methyl]-oxo-ammonium diiodide CAS Name: [(E)-[1-[[3-[cyclohexyl(oxo)methyl]-1-pyridin-1-iumyl]methoxymethyl]-2-pyridinylidene]methyl]-oxoammonium diiodide IUPAC Name: [(E)-[1-[[3-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-2-ylidene]methyl]-oxoazanium diiodide Traditional Name: [(E)-[1-[[3-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]methoxymethyl]-2-pyridylidene]methyl]-keto-ammonium diiodide Formula: C20H25I2N3O3 MolecularWeight: 609.23974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C2=C[N+](=CC=C2)COCN3C=CC=CC3=C[NH+]=O.[I-].[I-]

Isomeric SMILES

C1CCC(CC1)C(=O)C2=C[N+](=CC=C2)COCN\3C=CC=C/C3=C\[NH+]=O.[I-].[I-]

InChI

InChI=1S/C20H24N3O3.2HI/c24-20(17-7-2-1-3-8-17)18-9-6-11-22(14-18)15-26-16-23-12-5-4-10-19(23)13-21-25;;/h4-6,9-14,17H,1-3,7-8,15-16H2;2*1H/q+1;;/p-1/b19-13+;;