
 3-(2-Methylaminoethyl)indol-5-ol oxalate

 36 36  0  0  0  0  0  0  0  0999 V2000
    3.2416    0.9128    1.5827 C   0  0  0  0  0
    2.7079    1.8518    0.6041 N   0  0  0  0  0
    3.5249    1.8963   -0.6212 C   0  0  0  0  0
    4.9504    2.4655   -0.4751 C   0  0  0  0  0
    5.0001    3.8676    0.0578 C   0  0  0  0  0
    4.5146    4.9968   -0.5741 C   0  0  0  0  0
    4.7521    6.0792    0.2282 N   0  0  0  0  0
    5.3965    5.6871    1.3773 C   0  0  0  0  0
    5.5742    4.3044    1.2985 C   0  0  0  0  0
    6.2339    3.6514    2.3633 C   0  0  0  0  0
    6.6756    4.4085    3.4514 C   0  0  0  0  0
    6.4807    5.7814    3.5083 C   0  0  0  0  0
    5.8353    6.4511    2.4662 C   0  0  0  0  0
    7.3200    3.8207    4.5027 O   0  0  0  0  0
   -0.1160   -0.5115    0.5809 C   0  0  0  0  0
   -0.0827   -1.4196   -0.2234 O   0  0  0  0  0
   -0.6611    0.9112    0.2936 C   0  0  0  0  0
   -0.7582    1.7386    1.1865 O   0  0  0  0  0
   -1.0469    1.1297   -0.9618 O   0  0  0  0  0
    0.2672   -0.6066    1.8752 O   0  0  0  0  0
    2.5713    0.8754    2.4463 H   0  0  0  0  0
    4.2258    1.2138    1.9507 H   0  0  0  0  0
    3.3060   -0.0985    1.1691 H   0  0  0  0  0
    2.7109    2.7890    1.0167 H   0  0  0  0  0
    2.9765    2.5053   -1.3503 H   0  0  0  0  0
    3.5819    0.8914   -1.0576 H   0  0  0  0  0
    5.4289    2.4581   -1.4634 H   0  0  0  0  0
    5.5547    1.7997    0.1511 H   0  0  0  0  0
    4.0191    5.1203   -1.5279 H   0  0  0  0  0
    4.5013    7.0337    0.0108 H   0  0  0  0  0
    6.3929    2.5803    2.3248 H   0  0  0  0  0
    6.8378    6.3402    4.3696 H   0  0  0  0  0
    5.6872    7.5252    2.5055 H   0  0  0  0  0
    7.4143    2.8726    4.3161 H   0  0  0  0  0
   -1.3624    2.0548   -0.9801 H   0  0  0  0  0
    0.1617    0.2744    2.3039 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
 15 20  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 35  1  0  0  0
 20 36  1  0  0  0
M  END

>  <Chemical Name>
3-(2-Methylaminoethyl)indol-5-ol oxalate

>  <PubChem CID>
260390

>  <Formula>
C13H16N2O5

>  <Molecular Weight>
280.280000

>  <IUPAC Name>
3-[2-(methylamino)ethyl]-1H-indol-5-ol;oxalic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CNCCC1=CNC2=C1C=C(C=C2)O.C(=O)(C(=O)O)O

>  <Isomeric SMILES>
CNCCC1=CNC2=C1C=C(C=C2)O.C(=O)(C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C11H14N2O.C2H2O4/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11;3-1(4)2(5)6/h2-3,6-7,12-14H,4-5H2,1H3;(H,3,4)(H,5,6)

>  <InChI Key>
DYOZWAJOUTVNAF-UHFFFAOYSA-N

