1-(3,4-Dimethoxyphenyl)-4-Ethyl-6,7-Dimethoxy-3-Methylisoquinoline 2-Imide

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Properties Simple | Detailed

Formula C22H27N2O4+
IUPAC Name [1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]azanide
Molecular Mass 383.461 g·mol−1
Heat of Formation -239.8 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 463.41 Å 3
Surface Area 397.47 Å 2
HOMO Energy -7.87 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • [1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]azanide
  • [1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]azanide
  • tofisoline
CAS Number(s)
  • 29726-99-6
InChIKey IQLRWLFPGKTMDX-UHFFFAOYSA-N
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