
 D-Lysergic acid amide

 38 41  0  0  0  0  0  0  0  0999 V2000
    2.0593   -0.8121    1.5709 C   0  0  0  0  0
    2.9127   -0.2211    0.4921 N   0  0  0  0  0
    2.2779    0.2989   -0.1452 H   0  0  0  0  0
    3.8645    0.8315    1.0399 C   0  0  0  0  0
    4.4932    1.6449   -0.1018 C   0  0  0  0  0
    4.9444    0.7800   -1.2522 C   0  0  0  0  0
    4.6066   -0.5194   -1.3855 C   0  0  0  0  0
    3.6749   -1.2400   -0.3710 C   0  0  0  0  0
    2.6637   -2.2703   -0.9831 C   0  0  0  0  0
    3.3146   -3.0655   -2.0516 C   0  0  0  0  0
    3.0436   -4.2955   -2.6026 C   0  0  0  0  0
    3.9581   -4.5084   -3.6132 N   0  0  0  0  0
    4.8106   -3.4300   -3.7167 C   0  0  0  0  0
    5.8664   -3.1578   -4.5871 C   0  0  0  0  0
    6.5359   -1.9387   -4.4075 C   0  0  0  0  0
    6.1769   -1.0404   -3.3922 C   0  0  0  0  0
    5.1157   -1.3264   -2.5229 C   0  0  0  0  0
    4.4368   -2.5375   -2.7259 C   0  0  0  0  0
    3.4369    2.6036   -0.6296 C   0  0  0  0  0
    2.2475    2.2974   -0.6490 O   0  0  0  0  0
    3.8858    3.7916   -1.1176 N   0  0  0  0  0
    1.6056    0.0060    2.1372 H   0  0  0  0  0
    2.6885   -1.4308    2.2152 H   0  0  0  0  0
    1.2642   -1.3996    1.1067 H   0  0  0  0  0
    4.6252    0.2997    1.6235 H   0  0  0  0  0
    3.2891    1.4763    1.7147 H   0  0  0  0  0
    5.3396    2.2168    0.2950 H   0  0  0  0  0
    5.5717    1.2756   -1.9904 H   0  0  0  0  0
    4.3280   -1.7836    0.3278 H   0  0  0  0  0
    1.7991   -1.7451   -1.4072 H   0  0  0  0  0
    2.2983   -2.9458   -0.2010 H   0  0  0  0  0
    2.2833   -5.0369   -2.3912 H   0  0  0  0  0
    3.9937   -5.3284   -4.2053 H   0  0  0  0  0
    6.1576   -3.8474   -5.3732 H   0  0  0  0  0
    7.3603   -1.6878   -5.0739 H   0  0  0  0  0
    6.7502   -0.1226   -3.2988 H   0  0  0  0  0
    4.8642    4.0337   -1.2173 H   0  0  0  0  0
    3.2100    4.4321   -1.5207 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5 19  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 37  1  0  0  0
 21 38  1  0  0  0
M  CHG  1   2   1
M  END

>  <Chemical Name>
D-Lysergic acid amide

>  <PubChem CID>
44332913

>  <Formula>
C16H18N3O+

>  <Molecular Weight>
268.340000

>  <IUPAC Name>
(6aR,9R)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-7-ium-9-carboxamide

>  <XlogP>
1.600

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C[NH+]1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)N

>  <Isomeric SMILES>
C[NH+]1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N

>  <InChI Std. ID>
InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/p+1/t10-,14-/m1/s1

>  <InChI Key>
GENAHGKEFJLNJB-QMTHXVAHSA-O

