
 CID 44711860

 45 45  0  0  0  0  0  0  0  0999 V2000
    3.8618    2.6180    1.8510 C   0  0  0  0  0
    3.2119    3.6198    0.9068 C   0  0  0  0  0
    3.1233    3.1460   -0.5462 C   0  0  0  0  0
    4.4861    2.8956   -1.1799 N   0  0  0  0  0
    4.9159    2.2230   -0.5347 H   0  0  0  0  0
    4.3870    2.0221   -2.4370 C   0  0  0  0  0
    3.5671    2.6212   -3.5716 C   0  0  0  0  0
    3.4873    1.6622   -4.7532 C   0  0  0  0  0
    5.4447    4.0919   -1.2027 C   0  0  0  0  0
    4.8643    5.3074   -1.9473 C   0  0  0  0  0
    5.8761    6.0319   -2.8371 C   0  0  0  0  0
    6.6682    5.0608   -3.6710 C   0  0  0  0  0
    7.1577    3.8911   -3.0651 C   0  0  0  0  0
    6.8724    3.6744   -1.6047 C   0  0  0  0  0
    7.9490    3.0119   -3.8057 C   0  0  0  0  0
    8.2486    3.2713   -5.1397 C   0  0  0  0  0
    7.7615    4.4325   -5.7391 C   0  0  0  0  0
    6.9792    5.3283   -5.0084 C   0  0  0  0  0
    8.4226    1.8866   -3.1953 O   0  0  0  0  0
    1.1454   -0.1253   -1.5384 Br  0  0  0  0  0
    3.8720    3.0189    2.8708 H   0  0  0  0  0
    4.8955    2.4016    1.5737 H   0  0  0  0  0
    3.3024    1.6786    1.8658 H   0  0  0  0  0
    3.7291    4.5832    0.9763 H   0  0  0  0  0
    2.1903    3.8067    1.2627 H   0  0  0  0  0
    2.5929    3.8784   -1.1610 H   0  0  0  0  0
    2.5883    2.2032   -0.5682 H   0  0  0  0  0
    3.9677    1.0695   -2.1056 H   0  0  0  0  0
    5.4057    1.7985   -2.7610 H   0  0  0  0  0
    4.0215    3.5427   -3.9408 H   0  0  0  0  0
    2.5513    2.8571   -3.2413 H   0  0  0  0  0
    4.4838    1.4702   -5.1653 H   0  0  0  0  0
    2.8703    2.0932   -5.5476 H   0  0  0  0  0
    3.0465    0.7050   -4.4623 H   0  0  0  0  0
    5.5336    4.3683   -0.1464 H   0  0  0  0  0
    4.4758    6.0241   -1.2122 H   0  0  0  0  0
    3.9955    5.0410   -2.5528 H   0  0  0  0  0
    6.5731    6.6129   -2.2215 H   0  0  0  0  0
    5.3409    6.7441   -3.4774 H   0  0  0  0  0
    7.0684    2.6440   -1.2904 H   0  0  0  0  0
    7.5897    4.2955   -1.0495 H   0  0  0  0  0
    8.8605    2.5915   -5.7247 H   0  0  0  0  0
    8.0005    4.6467   -6.7793 H   0  0  0  0  0
    6.6220    6.2366   -5.4895 H   0  0  0  0  0
    8.9903    1.4054   -3.8216 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
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  9  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 19 45  1  0  0  0
M  CHG  2   4   1  20  -1
M  END

>  <Chemical Name>
CID 44711860

>  <PubChem CID>
44711860

>  <Formula>
C16H26BrNO

>  <Molecular Weight>
328.294000

>  <IUPAC Name>
(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-dipropylazanium;bromide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC[NH+](CCC)C1CCC2=C(C1)C(=CC=C2)O.[Br-]

>  <Isomeric SMILES>
CCC[NH+](CCC)C1CCC2=C(C1)C(=CC=C2)O.[Br-]

>  <InChI Std. ID>
InChI=1S/C16H25NO.BrH/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H

>  <InChI Key>
BATPBOZTBNNDLN-UHFFFAOYSA-N

