trimethyl-[5-[[(6E)-1-methyl-6-(oxidanylideneazaniumylmethylidene)pyridin-3-yl]carbonylamino]pentyl]azanium diiodide

Systemtic Name: trimethyl-[5-[[(6E)-1-methyl-6-(oxidanylideneazaniumylmethylidene)pyridin-3-yl]carbonylamino]pentyl]azanium diiodide Openeye Name: trimethyl-[5-[[(6E)-1-methyl-6-(oxoammoniomethylene)pyridine-3-carbonyl]amino]pentyl]ammonium diiodide CAS Name: trimethyl-[5-[[[(6E)-1-methyl-6-(oxoammoniomethylidene)-3-pyridinyl]-oxomethyl]amino]pentyl]ammonium diiodide IUPAC Name: trimethyl-[5-[[(6E)-1-methyl-6-(oxoazaniumylmethylidene)pyridine-3-carbonyl]amino]pentyl]azanium diiodide Traditional Name: 5-[[(6E)-6-(ketoammoniomethylene)-1-methyl-nicotinoyl]amino]pentyl-trimethyl-ammonium diiodide Formula: C16H28I2N4O2 MolecularWeight: 562.22806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O2.2HI/c1-19-13-14(8-9-15(19)12-18-22)16(21)17-10-6-5-7-11-20(2,3)4;;/h8-9,12-13H,5-7,10-11H2,1-4H3;2*1H/b15-12+;;