3-Benzoyl-1-({[(2E)-2-[(Oxoammonio)Methylene]-1(2H)-Pyridinyl]Methoxy}Methyl)Pyridinium

Molecule SVG Image

Properties Simple | Detailed

Formula C20H21N3O3+
IUPAC Name [(e)-[1-[[3-(benzoyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-2-ylidene]methyl]-oxoazanium
Molecular Mass 351.399 g·mol−1
Heat of Formation 116.0 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 404.35 Å 3
Surface Area 324.98 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(((3-benzoylpyridinio)methoxy)methyl)-2-((hydroxyimino)methyl)pyridinium dichloride
  • [(e)-[1-[[3-(benzoyl)pyridin-1-ium-1-yl]methoxymethyl]-2-pyridylidene]methyl]-keto-ammonium
  • [(e)-[1-[[3-(benzoyl)pyridin-1-ium-1-yl]methoxymethyl]-2-pyridylidene]methyl]-oxo-ammonium
  • hgg 12
  • oxo-[(e)-[1-[(3-phenylcarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]azanium
  • oxo-[(e)-[1-[[3-(oxo-phenylmethyl)-1-pyridin-1-iumyl]methoxymethyl]-2-pyridylidene]methyl]ammonium
  • pyridinium, 1-(((3-benzoylpyridinio)methoxy)methyl)-2-((hydroxyimino)methyl)-, dichloride
InChIKey JOKOICMSFDMHFL-CPNJWEJPSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N