
 Hyoscine methonitrate

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.0000    0.0000    0.0000 C   0  0  0  0  0
    2.8623   -0.2663    0.7245 N   0  0  0  0  0
    3.9382    0.8832    0.5910 C   0  0  0  0  0
    4.2650    1.2398   -0.8736 C   0  0  0  0  0
    3.9854    0.1232   -1.8866 C   0  0  0  0  0
    4.0877   -1.3019   -1.3310 C   0  0  0  0  0
    3.7700   -1.4351    0.1741 C   0  0  0  0  0
    5.0874   -1.2354    0.9413 C   0  0  0  0  0
    5.1963    0.2477    1.2060 C   0  0  0  0  0
    6.1169   -0.4374    0.3557 O   0  0  0  0  0
    4.9386    0.2258   -2.9751 O   0  0  0  0  0
    4.6981    1.1872   -3.9129 C   0  0  0  0  0
    3.7079    1.9050   -3.9500 O   0  0  0  0  0
    5.8732    1.2945   -4.8676 C   0  0  0  0  0
    5.3476    1.5775   -6.2800 C   0  0  0  0  0
    6.3858    1.4278   -7.2512 O   0  0  0  0  0
    6.8736    2.3446   -4.4027 C   0  0  0  0  0
    8.2107    1.9849   -4.1745 C   0  0  0  0  0
    9.1429    2.9395   -3.7634 C   0  0  0  0  0
    8.7517    4.2632   -3.5751 C   0  0  0  0  0
    7.4275    4.6341   -3.7948 C   0  0  0  0  0
    6.4933    3.6821   -4.2057 C   0  0  0  0  0
    2.5708   -0.5152    2.2444 C   0  0  0  0  0
    1.0000    0.0000    0.0000 N   0  0  0  0  0
    1.4630   -1.3458   -0.8894 O   0  0  0  0  0
   -0.6530    0.0573    0.2838 O   0  0  0  0  0
    1.6601    1.5050   -0.3382 O   0  0  0  0  0
    0.7548    0.3082   -1.5131 H   0  0  0  0  0
    0.6620    1.0171    1.1463 H   0  0  0  0  0
    0.5060   -1.3140    0.7011 H   0  0  0  0  0
    3.6089    1.7405    1.1878 H   0  0  0  0  0
    3.7170    2.1385   -1.1808 H   0  0  0  0  0
    5.3121    1.5649   -0.9524 H   0  0  0  0  0
    2.9803    0.2483   -2.3036 H   0  0  0  0  0
    5.0833   -1.7188   -1.5401 H   0  0  0  0  0
    3.4353   -1.9547   -1.9245 H   0  0  0  0  0
    3.3069   -2.3908    0.4414 H   0  0  0  0  0
    5.3190   -1.9539    1.7098 H   0  0  0  0  0
    5.5093    0.6175    2.1683 H   0  0  0  0  0
    6.3717    0.3157   -4.8995 H   0  0  0  0  0
    4.9214    2.5816   -6.3828 H   0  0  0  0  0
    4.5596    0.8628   -6.5424 H   0  0  0  0  0
    7.0326    2.1385   -7.0861 H   0  0  0  0  0
    8.5391    0.9571   -4.3178 H   0  0  0  0  0
   10.1763    2.6496   -3.5911 H   0  0  0  0  0
    9.4785    5.0059   -3.2566 H   0  0  0  0  0
    7.1194    5.6661   -3.6463 H   0  0  0  0  0
    5.4627    3.9973   -4.3661 H   0  0  0  0  0
    3.4958   -0.6863    2.7967 H   0  0  0  0  0
    1.9334   -1.3986    2.3201 H   0  0  0  0  0
    2.0727    0.3739    2.6371 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 11 12  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 17  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  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
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
M  CHG  4   2   1  24   1  26  -1  27  -1
M  END

>  <Chemical Name>
Hyoscine methonitrate

>  <PubChem CID>
657297

>  <Formula>
C18H24N2O7

>  <Molecular Weight>
380.397000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[N+](=O)([O-])[O-]

>  <Isomeric SMILES>
C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[N+](=O)([O-])[O-]

>  <InChI Std. ID>
InChI=1S/C18H24NO4.NO3/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-17,20H,8-10H2,1-2H3;/q+1;-1/t12?,13-,14-,15+,16-,17+;/m1./s1

>  <InChI Key>
BSQIVYOSLFLSGE-OZVSTBQFSA-N

