
 Glycopyrronium

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.6251   -2.5967   -5.8524 C   0  0  0  0  0
    3.0375   -2.1096   -5.5747 N   0  0  0  0  0
    3.6538   -2.8642   -4.3814 C   0  0  0  0  0
    3.6315   -1.8709   -3.2361 C   0  0  0  0  0
    3.9184   -0.5401   -3.9129 C   0  0  0  0  0
    3.0230   -0.6132   -5.1508 C   0  0  0  0  0
    5.2880   -0.4387   -4.3485 O   0  0  0  0  0
    6.2058   -0.2168   -3.3451 C   0  0  0  0  0
    5.8958   -0.1290   -2.1658 O   0  0  0  0  0
    7.6453   -0.2052   -3.9331 C   0  0  0  0  0
    8.6438    0.3706   -2.9019 C   0  0  0  0  0
   10.0999    0.4214   -3.3849 C   0  0  0  0  0
   10.7444    1.4139   -2.4311 C   0  0  0  0  0
    9.7079    2.5193   -2.3240 C   0  0  0  0  0
    8.3530    1.8292   -2.4831 C   0  0  0  0  0
    8.0028   -1.6406   -4.3525 C   0  0  0  0  0
    7.9162   -2.6926   -3.4191 C   0  0  0  0  0
    8.2012   -4.0082   -3.7904 C   0  0  0  0  0
    8.5818   -4.2974   -5.0974 C   0  0  0  0  0
    8.6953   -3.2703   -6.0299 C   0  0  0  0  0
    8.4169   -1.9523   -5.6599 C   0  0  0  0  0
    7.6249    0.6595   -5.0821 O   0  0  0  0  0
    3.8942   -2.3120   -6.8161 C   0  0  0  0  0
    1.0341   -2.4880   -4.9380 H   0  0  0  0  0
    1.6747   -3.6478   -6.1513 H   0  0  0  0  0
    1.2046   -1.9868   -6.6570 H   0  0  0  0  0
    3.0723   -3.7694   -4.1796 H   0  0  0  0  0
    4.6808   -3.1422   -4.6438 H   0  0  0  0  0
    4.3631   -2.1512   -2.4739 H   0  0  0  0  0
    2.6392   -1.8543   -2.7701 H   0  0  0  0  0
    3.6612    0.3275   -3.2969 H   0  0  0  0  0
    3.3761   -0.0084   -5.9915 H   0  0  0  0  0
    1.9892   -0.3529   -4.9003 H   0  0  0  0  0
    8.6186   -0.2413   -1.9881 H   0  0  0  0  0
   10.1704    0.7901   -4.4149 H   0  0  0  0  0
   10.5885   -0.5566   -3.3359 H   0  0  0  0  0
   10.9040    0.9499   -1.4503 H   0  0  0  0  0
   11.7078    1.7810   -2.7959 H   0  0  0  0  0
    9.7850    3.0660   -1.3792 H   0  0  0  0  0
    9.8478    3.2421   -3.1367 H   0  0  0  0  0
    7.8017    1.8453   -1.5359 H   0  0  0  0  0
    7.7445    2.3709   -3.2150 H   0  0  0  0  0
    7.6432   -2.4968   -2.3825 H   0  0  0  0  0
    8.1504   -4.8058   -3.0522 H   0  0  0  0  0
    8.8233   -5.3195   -5.3814 H   0  0  0  0  0
    9.0291   -3.4919   -7.0415 H   0  0  0  0  0
    8.5591   -1.1705   -6.4041 H   0  0  0  0  0
    6.9610    0.3017   -5.6942 H   0  0  0  0  0
    4.8964   -1.9203   -6.6204 H   0  0  0  0  0
    3.4295   -1.7719   -7.6459 H   0  0  0  0  0
    3.9368   -3.3838   -7.0313 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>
Glycopyrronium

>  <PubChem CID>
3494

>  <Formula>
C19H28NO3+

>  <Molecular Weight>
318.437000

>  <IUPAC Name>
(1,1-dimethylpyrrolidin-1-ium-3-yl) 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(CCC(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

>  <InChI Key>
ANGKOCUUWGHLCE-UHFFFAOYSA-N

