N-P-Anisoyl-3-(Cis-2,6-Dimethylpiperidino)Sydnone Imine

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Properties Simple | Detailed

Formula C17H22N4O3
IUPAC Name n-[3-[(2s,6r)-2,6-dimethylpiperidin-1-yl]oxadiazol-3-ium-5-yl]-4-methoxybenzenecarboximidate
Molecular Mass 330.382 g·mol−1
Heat of Formation 6.2 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 396.65 Å 3
Surface Area 355.69 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • cas 936
  • d05517
  • n-[3-[(2s,6r)-2,6-dimethyl-1-piperidinyl]-5-oxadiazol-3-iumyl]-4-methoxybenzenecarboximidate
  • n-[3-[(2s,6r)-2,6-dimethyl-1-piperidyl]oxadiazol-3-ium-5-yl]-4-methoxy-benzenecarboximidate
  • n-[3-[(2s,6r)-2,6-dimethylpiperidin-1-yl]-1,2,3-oxadiazol-3-ium-5-yl]-4-methoxy-benzenecarboximidate
  • pirsidomine
  • pirsidomine (usan)
  • sydnone imine, 3-(2,6-dimethyl-1-piperidinyl)-n-(4-methoxybenzoyl)-, cis-
CAS Number(s)
  • 132722-74-8
InChIKey TXPUBJSOHAMNEI-BETUJISGSA-N
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