N-{2-[({5-[(Dimethylamino)Methyl]-2-Furyl}Methyl)Sulfanyl]Ethyl}Nicotinamide 1-Oxide

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Properties Simple | Detailed

Formula C16H27N3O3S+
IUPAC Name n-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-1-oxido-piperidine-2,3,4,5,6-pentaide-3-carboxamide
Molecular Mass 341.469 g·mol−1
Heat of Formation -162.4 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 412.68 Å 3
Surface Area 320.63 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • n-(2-((5-((dimethylamino)methyl)furfuryl)thio)ethyl)nicotinamide 1-oxide
  • n-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide
  • n-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-1-oxido-3-pyridin-1-iumcarboxamide
  • n-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide
  • n-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide
  • n-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-oxidopyridin-1-ium-3-carboxamide
  • ramixotidina [spanish]
  • ramixotidine
  • ramixotidinum [latin]
InChIKey HIVRCMFJEMKPDS-UHFFFAOYSA-N
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