6-{[(2R)-2-{2-[4-(4-Chlorophenoxy)-1-Piperidinyl]Ethyl}-1-Pyrrolidinyl]Sulfonyl}-1H-Indole

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Formula C25H30ClN3O3S
IUPAC Name 6-[(1s,2r)-2-[2-[4-(4-chlorophenoxy)-1-piperidyl]ethyl]pyrrolidin-1-yl]sulfonylindol-1-ium
Molecular Mass 488.042 g·mol−1
Heat of Formation -328.5 ± 16.7 kJ·mol−1
Dipole Moment 7.93 ± 1.08 D
Volume 565.73 Å 3
Surface Area 429.29 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(2r)-2-[2-[4-(4-chlorophenoxy)-1-piperidyl]ethyl]pyrrolidin-1-yl]sulfonyl-1h-indole
  • 6-[(2r)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1h-indole
  • 6-[[(2r)-2-[2-[4-(4-chlorophenoxy)-1-piperidinyl]ethyl]-1-pyrrolidinyl]sulfonyl]-1h-indole
InChIKey QEGMGDYIJDZJCI-OAQYLSRUSA-N
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