dimethyl-[3-[[(6Z)-1-methyl-6-(oxidanylideneazaniumylmethylidene)pyridin-3-yl]carbonylamino]propyl]azanium diiodide

Systemtic Name: dimethyl-[3-[[(6Z)-1-methyl-6-(oxidanylideneazaniumylmethylidene)pyridin-3-yl]carbonylamino]propyl]azanium diiodide Openeye Name: dimethyl-[3-[[(6Z)-1-methyl-6-(oxoammoniomethylene)pyridine-3-carbonyl]amino]propyl]ammonium diiodide CAS Name: dimethyl-[3-[[[(6Z)-1-methyl-6-(oxoammoniomethylidene)-3-pyridinyl]-oxomethyl]amino]propyl]ammonium diiodide IUPAC Name: dimethyl-[3-[[(6Z)-1-methyl-6-(oxoazaniumylmethylidene)pyridine-3-carbonyl]amino]propyl]azanium diiodide Traditional Name: 3-[[(6Z)-6-(ketoammoniomethylene)-1-methyl-nicotinoyl]amino]propyl-dimethyl-ammonium diiodide Formula: C13H22I2N4O2 MolecularWeight: 520.14832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=CC1=C[NH+]=O)C(=O)NCCC[NH+](C)C.[I-].[I-]

Isomeric SMILES

CN\1C=C(C=C/C1=C/[NH+]=O)C(=O)NCCC[NH+](C)C.[I-].[I-]

InChI

InChI=1S/C13H20N4O2.2HI/c1-16(2)8-4-7-14-13(18)11-5-6-12(9-15-19)17(3)10-11;;/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,18);2*1H/b12-9-;;