
 Glycopyrrolate cation

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.7219   -2.5620   -5.9829 C   0  0  0  0  0
    3.1082   -2.0492   -5.6306 N   0  0  0  0  0
    3.7817   -2.9646   -4.5883 C   0  0  0  0  0
    3.7245   -2.1846   -3.2881 C   0  0  0  0  0
    3.9332   -0.7457   -3.7325 C   0  0  0  0  0
    3.0174   -0.6534   -4.9517 C   0  0  0  0  0
    5.2928   -0.5243   -4.1526 O   0  0  0  0  0
    6.1885   -0.3835   -3.1178 C   0  0  0  0  0
    5.8586   -0.4118   -1.9391 O   0  0  0  0  0
    7.6452   -0.3306   -3.6634 C   0  0  0  0  0
    8.5708    0.3229   -2.6097 C   0  0  0  0  0
   10.0354    0.4759   -3.0414 C   0  0  0  0  0
   10.5594    1.5541   -2.1055 C   0  0  0  0  0
    9.4348    2.5744   -2.0916 C   0  0  0  0  0
    8.1502    1.7590   -2.2191 C   0  0  0  0  0
    8.0627   -1.7670   -4.0211 C   0  0  0  0  0
    8.5191   -2.1165   -5.3047 C   0  0  0  0  0
    8.8136   -3.4451   -5.6251 C   0  0  0  0  0
    8.6760   -4.4447   -4.6659 C   0  0  0  0  0
    8.2607   -4.1163   -3.3794 C   0  0  0  0  0
    7.9613   -2.7908   -3.0583 C   0  0  0  0  0
    7.6441    0.4974   -4.8388 O   0  0  0  0  0
    3.9549   -1.9765   -6.8922 C   0  0  0  0  0
    1.1411   -2.6548   -5.0604 H   0  0  0  0  0
    1.8279   -3.5376   -6.4661 H   0  0  0  0  0
    1.2535   -1.8443   -6.6624 H   0  0  0  0  0
    3.2516   -3.9208   -4.5420 H   0  0  0  0  0
    4.8175   -3.1371   -4.9021 H   0  0  0  0  0
    4.4842   -2.5475   -2.5904 H   0  0  0  0  0
    2.7408   -2.3012   -2.8185 H   0  0  0  0  0
    3.6451   -0.0067   -2.9767 H   0  0  0  0  0
    3.3157    0.1101   -5.6764 H   0  0  0  0  0
    1.9759   -0.5045   -4.6463 H   0  0  0  0  0
    8.5581   -0.2800   -1.6901 H   0  0  0  0  0
   10.1182    0.8106   -4.0818 H   0  0  0  0  0
   10.5976   -0.4570   -2.9357 H   0  0  0  0  0
   10.7108    1.1455   -1.0992 H   0  0  0  0  0
   11.5052    1.9836   -2.4470 H   0  0  0  0  0
    9.4445    3.1925   -1.1888 H   0  0  0  0  0
    9.5289    3.2451   -2.9542 H   0  0  0  0  0
    7.6137    1.7405   -1.2632 H   0  0  0  0  0
    7.4817    2.2262   -2.9502 H   0  0  0  0  0
    8.6748   -1.3591   -6.0707 H   0  0  0  0  0
    9.1737   -3.6983   -6.6202 H   0  0  0  0  0
    8.9224   -5.4752   -4.9122 H   0  0  0  0  0
    8.1866   -4.8908   -2.6189 H   0  0  0  0  0
    7.6527   -2.5670   -2.0369 H   0  0  0  0  0
    7.0246    0.0935   -5.4678 H   0  0  0  0  0
    4.9392   -1.5760   -6.6334 H   0  0  0  0  0
    3.4523   -1.3168   -7.6056 H   0  0  0  0  0
    4.0479   -2.9865   -7.3017 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 22  1  0  0  0
 10 16  1  0  0  0
 10 11  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 46  1  0  0  0
 21 47  1  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 23 51  1  0  0  0
M  CHG  1   2   1
M  END

>  <Chemical Name>
Glycopyrrolate cation

>  <PubChem CID>
9933193

>  <Formula>
C19H28NO3+

>  <Molecular Weight>
318.437000

>  <IUPAC Name>
[(3S)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C

>  <Isomeric SMILES>
C[N+]1(CC[C@@H](C1)OC(=O)[C@@](C2CCCC2)(C3=CC=CC=C3)O)C

>  <InChI Std. ID>
InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1/t17-,19-/m0/s1

>  <InChI Key>
ANGKOCUUWGHLCE-HKUYNNGSSA-N

