1-(4-{5-[(6,7-Dimethoxy-2-Methyl-1-Isoquinoliniumyl)Methyl]-2-Methoxyphenoxy}Benzyl)-6,7-Dimethoxy-2-Methylisoquinolinium

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Properties Simple | Detailed

Formula C39H40N2O6++
IUPAC Name 1-[[4-[5-[(6,7-dimethoxy-2-methyl-isoquinolin-2-ium-1-yl)methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium
Molecular Mass 632.745 g·mol−1
Heat of Formation -116.7 ± 16.7 kJ·mol−1
Dipole Moment 10.65 ± 1.08 D
Volume 772.46 Å 3
Surface Area 566.83 Å 2
HOMO Energy -3.92 ± 0.55 eV
LUMO Energy -2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-[4-[(6,7-dimethoxy-2-methyl-isoquinolin-2-ium-1-yl)methyl]phenoxy]-4-methoxy-benzyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium
  • 1-[[3-[4-[(6,7-dimethoxy-2-methyl-1-isoquinolin-2-iumyl)methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium
  • 1-[[3-[4-[(6,7-dimethoxy-2-methyl-isoquinolin-2-ium-1-yl)methyl]phenoxy]-4-methoxy-phenyl]methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium
  • 1-[[3-[4-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium
  • isoquinolinium, 1-((4-(5-((6,7-dimethoxy-2-methylisoquinolinium-1-yl)methyl)-2-methoxyphenoxy)phenyl)methyl)-6,7-dimethoxy-2-methyl-
  • phaeantharine
  • phaeantharine chloride
  • phaeanthrine
CAS Number(s)
  • 27670-80-0
InChIKey IWKHGZDMTOKGQP-UHFFFAOYSA-N
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