
 TL99

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.3980   -0.2868   -1.1147 C   0  0  0  0  0
    2.3502   -0.0055    0.0280 N   0  0  0  0  0
    1.7902   -0.0375    0.8915 H   0  0  0  0  0
    3.3596   -1.1265    0.1238 C   0  0  0  0  0
    2.9931    1.3979   -0.0533 C   0  0  0  0  0
    3.8684    1.6527    1.1803 C   0  0  0  0  0
    4.5706    3.0065    1.0728 C   0  0  0  0  0
    3.6407    4.1313    0.7049 C   0  0  0  0  0
    4.0580    5.4577    0.9209 C   0  0  0  0  0
    3.2258    6.5110    0.5616 C   0  0  0  0  0
    1.9879    6.2579   -0.0151 C   0  0  0  0  0
    1.5641    4.9581   -0.2457 C   0  0  0  0  0
    2.3942    3.8809    0.1004 C   0  0  0  0  0
    1.8960    2.4795   -0.1375 C   0  0  0  0  0
    1.1683    7.2908   -0.3648 O   0  0  0  0  0
    3.5790    7.8162    0.7547 O   0  0  0  0  0
    1.9372   -0.1522   -2.0557 H   0  0  0  0  0
    0.5480    0.3937   -1.0361 H   0  0  0  0  0
    1.0337   -1.3130   -1.0150 H   0  0  0  0  0
    4.0675   -1.0287   -0.7029 H   0  0  0  0  0
    2.8254   -2.0792    0.0693 H   0  0  0  0  0
    3.8577   -1.0655    1.0929 H   0  0  0  0  0
    3.6072    1.4035   -0.9631 H   0  0  0  0  0
    4.6456    0.8912    1.2935 H   0  0  0  0  0
    3.2519    1.6232    2.0882 H   0  0  0  0  0
    5.3552    2.9486    0.3077 H   0  0  0  0  0
    5.0583    3.2243    2.0308 H   0  0  0  0  0
    5.0284    5.6546    1.3691 H   0  0  0  0  0
    0.5870    4.7990   -0.6952 H   0  0  0  0  0
    1.1123    2.2744    0.6034 H   0  0  0  0  0
    1.4358    2.4457   -1.1325 H   0  0  0  0  0
    1.6612    8.0990   -0.1151 H   0  0  0  0  0
    4.4585    7.8477    1.1692 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 16  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 13  2  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
 16 33  1  0  0  0
M  CHG  1   2   1
M  END

>  <Chemical Name>
TL99

>  <PubChem CID>
44299913

>  <Formula>
C12H18NO2+

>  <Molecular Weight>
208.281000

>  <IUPAC Name>
(6,7-dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-dimethylazanium

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C[NH+](C)C1CCC2=CC(=C(C=C2C1)O)O

>  <Isomeric SMILES>
C[NH+](C)C1CCC2=CC(=C(C=C2C1)O)O

>  <InChI Std. ID>
InChI=1S/C12H17NO2/c1-13(2)10-4-3-8-6-11(14)12(15)7-9(8)5-10/h6-7,10,14-15H,3-5H2,1-2H3/p+1

>  <InChI Key>
JWLJBTDXCBIGBW-UHFFFAOYSA-O

