[1-[[3-(2,2-dimethylpropanoyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium diiodide

Systemtic Name: [1-[[3-(2,2-dimethylpropanoyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium diiodide Openeye Name: [1-[[3-(2,2-dimethylpropanoyl)pyridin-1-ium-1-yl]methoxymethyl]-4-pyridylidene]methyl-oxo-ammonium diiodide CAS Name: [1-[[3-(2,2-dimethyl-1-oxopropyl)-1-pyridin-1-iumyl]methoxymethyl]-4-pyridinylidene]methyl-oxoammonium diiodide IUPAC Name: [1-[[3-(2,2-dimethylpropanoyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-4-ylidene]methyl-oxoazanium diiodide Traditional Name: keto-[[1-[(3-pivaloylpyridin-1-ium-1-yl)methoxymethyl]-4-pyridylidene]methyl]ammonium diiodide Formula: C18H23I2N3O3 MolecularWeight: 583.20246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=C[N+](=CC=C1)COCN2C=CC(=C[NH+]=O)C=C2.[I-].[I-]

Isomeric SMILES

CC(C)(C)C(=O)C1=C[N+](=CC=C1)COCN2C=CC(=C[NH+]=O)C=C2.[I-].[I-]

InChI

InChI=1S/C18H22N3O3.2HI/c1-18(2,3)17(22)16-5-4-8-21(12-16)14-24-13-20-9-6-15(7-10-20)11-19-23;;/h4-12H,13-14H2,1-3H3;2*1H/q+1;;/p-1