trimethyl-[4-[[(6E)-1-methyl-6-(oxidanylideneazaniumylmethylidene)pyridin-3-yl]carbonylamino]butyl]azanium diiodide

Systemtic Name: trimethyl-[4-[[(6E)-1-methyl-6-(oxidanylideneazaniumylmethylidene)pyridin-3-yl]carbonylamino]butyl]azanium diiodide Openeye Name: trimethyl-[4-[[(6E)-1-methyl-6-(oxoammoniomethylene)pyridine-3-carbonyl]amino]butyl]ammonium diiodide CAS Name: trimethyl-[4-[[[(6E)-1-methyl-6-(oxoammoniomethylidene)-3-pyridinyl]-oxomethyl]amino]butyl]ammonium diiodide IUPAC Name: trimethyl-[4-[[(6E)-1-methyl-6-(oxoazaniumylmethylidene)pyridine-3-carbonyl]amino]butyl]azanium diiodide Traditional Name: 4-[[(6E)-6-(ketoammoniomethylene)-1-methyl-nicotinoyl]amino]butyl-trimethyl-ammonium diiodide Formula: C15H26I2N4O2 MolecularWeight: 548.20148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O2.2HI/c1-18-12-13(7-8-14(18)11-17-21)15(20)16-9-5-6-10-19(2,3)4;;/h7-8,11-12H,5-6,9-10H2,1-4H3;2*1H/b14-11+;;