(3R,4Ar,10Ar)-1-Methyl-3-[(2-Pyridinylsulfanyl)Methyl]-1,2,3,4,4A,5,10,10A-Octahydrobenzo[G]Quinolin-6-Ol

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Properties Simple | Detailed

Formula C20H25N2OS
IUPAC Name (1r,3r,4ar,10ar)-1-methyl-3-(3h-pyridin-1-ium-3-id-2-ylsulfanylmethyl)-3,4,4a,5,10,10a-hexahydro-2h-benzo[g]quinolin-6-ol
Molecular Mass 341.490 g·mol−1
Heat of Formation -10.1 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 418.11 Å 3
Surface Area 364.27 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4ar,10ar)-1-methyl-3-(2-pyridylsulfanylmethyl)-3,4,4a,5,10,10a-hexahydro-2h-benzo[g]quinolin-6-ol
  • (3r,4ar,10ar)-1-methyl-3-(pyridin-2-ylsulfanylmethyl)-3,4,4a,5,10,10a-hexahydro-2h-benzo[g]quinolin-6-ol
  • (3r,4ar,10ar)-1-methyl-3-[(2-pyridylthio)methyl]-3,4,4a,5,10,10a-hexahydro-2h-benzo[g]quinolin-6-ol
  • pdsp1_000850
  • pdsp2_000837
InChIKey OZUQRMYHPWAQQC-QGPMSJSTSA-N
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