
 AC1OCGE3

 41 42  0  0  0  0  0  0  0  0999 V2000
    4.0300   -0.9404   -3.4157 C   0  0  0  0  0
    3.1417    0.2426   -3.0533 C   0  0  0  0  0
    1.6723   -0.1597   -3.0790 C   0  0  0  0  0
    3.4775    0.7315   -1.6818 N   0  0  0  0  0
    2.7320    1.3355   -1.3054 H   0  0  0  0  0
    3.5267   -0.0433   -0.9948 H   0  0  0  0  0
    4.7590    1.4978   -1.5230 C   0  0  0  0  0
    4.9819    1.7788   -0.0294 C   0  0  0  0  0
    4.0909    2.8998    0.5316 C   0  0  0  0  0
    2.7032    2.5787    0.3373 O   0  0  0  0  0
    1.8041    3.5201    0.8063 C   0  0  0  0  0
    2.1113    4.4440    1.8135 C   0  0  0  0  0
    1.1791    5.4037    2.2037 C   0  0  0  0  0
   -0.0636    5.4626    1.5825 C   0  0  0  0  0
   -0.4121    4.5367    0.5933 C   0  0  0  0  0
   -1.6726    4.6044   -0.0222 C   0  0  0  0  0
   -2.0526    3.6729   -0.9857 C   0  0  0  0  0
   -1.1873    2.6453   -1.3263 C   0  0  0  0  0
    0.0724    2.5711   -0.7226 C   0  0  0  0  0
    0.5080    3.5254    0.2206 C   0  0  0  0  0
    4.7232    0.5432    0.6641 O   0  0  0  0  0
    5.0813   -0.6469   -3.4894 H   0  0  0  0  0
    3.7415   -1.3517   -4.3892 H   0  0  0  0  0
    3.9511   -1.7438   -2.6753 H   0  0  0  0  0
    3.3053    1.0776   -3.7435 H   0  0  0  0  0
    1.4380   -0.8896   -2.2966 H   0  0  0  0  0
    1.4070   -0.6015   -4.0456 H   0  0  0  0  0
    1.0278    0.7121   -2.9396 H   0  0  0  0  0
    4.7032    2.4056   -2.1307 H   0  0  0  0  0
    5.5565    0.8442   -1.8892 H   0  0  0  0  0
    6.0325    2.0441    0.1326 H   0  0  0  0  0
    4.3231    3.8436    0.0230 H   0  0  0  0  0
    4.3114    2.9775    1.6011 H   0  0  0  0  0
    3.0599    4.4468    2.3386 H   0  0  0  0  0
    1.4211    6.1120    2.9932 H   0  0  0  0  0
   -0.7691    6.2317    1.8931 H   0  0  0  0  0
   -2.3778    5.3884    0.2496 H   0  0  0  0  0
   -3.0328    3.7412   -1.4524 H   0  0  0  0  0
   -1.4935    1.8972   -2.0503 H   0  0  0  0  0
    0.7005    1.7308   -0.9713 H   0  0  0  0  0
    4.9033    0.6901    1.6150 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 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  7  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 21  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 21 41  1  0  0  0
M  CHG  1   4   1
M  END

>  <Chemical Name>
AC1OCGE3

>  <PubChem CID>
6919168

>  <Formula>
C16H22NO2+

>  <Molecular Weight>
260.357000

>  <IUPAC Name>
[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-propan-2-ylazanium

>  <XlogP>
3.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)[NH2+]CC(COC1=CC=CC2=CC=CC=C21)O

>  <Isomeric SMILES>
CC(C)[NH2+]C[C@H](COC1=CC=CC2=CC=CC=C21)O

>  <InChI Std. ID>
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/p+1/t14-/m1/s1

>  <InChI Key>
AQHHHDLHHXJYJD-CQSZACIVSA-O

