[1-[(4-cyclohexylcarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium diiodide

Systemtic Name: [1-[(4-cyclohexylcarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium diiodide Openeye Name: [1-[[4-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]methoxymethyl]-4-pyridylidene]methyl-oxo-ammonium diiodide CAS Name: [1-[[4-[cyclohexyl(oxo)methyl]-1-pyridin-1-iumyl]methoxymethyl]-4-pyridinylidene]methyl-oxoammonium diiodide IUPAC Name: [1-[[4-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-4-ylidene]methyl-oxoazanium diiodide Traditional Name: [1-[[4-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]methoxymethyl]-4-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=CC=[N+](C=C2)COCN3C=CC(=C[NH+]=O)C=C3.[I-].[I-]

Isomeric SMILES

C1CCC(CC1)C(=O)C2=CC=[N+](C=C2)COCN3C=CC(=C[NH+]=O)C=C3.[I-].[I-]

InChI

InChI=1S/C20H24N3O3.2HI/c24-20(18-4-2-1-3-5-18)19-8-12-23(13-9-19)16-26-15-22-10-6-17(7-11-22)14-21-25;;/h6-14,18H,1-5,15-16H2;2*1H/q+1;;/p-1