
 procyclidine

 50 52  0  0  0  0  0  0  0  0999 V2000
   -2.9076   -1.7886   -2.9111 C   0  0  0  0  0
   -2.1763   -0.6020   -2.2985 C   0  0  0  0  0
   -2.9828    0.0453   -1.1752 C   0  0  0  0  0
   -3.4752   -0.9204   -0.0706 C   0  0  0  0  0
   -4.1525   -2.1423   -0.7456 C   0  0  0  0  0
   -3.3294   -2.7980   -1.8524 C   0  0  0  0  0
   -2.4217   -1.3066    1.0451 C   0  0  0  0  0
   -1.7643   -0.0523    1.7057 C   0  0  0  0  0
   -0.6961   -0.4056    2.7634 C   0  0  0  0  0
   -0.0912    0.7674    3.4161 N   0  0  0  0  0
    0.9540    0.3527    4.3608 C   0  0  0  0  0
    1.7745    1.6121    4.5950 C   0  0  0  0  0
    1.4592    2.5216    3.4166 C   0  0  0  0  0
    0.5703    1.6951    2.5007 C   0  0  0  0  0
   -3.1016   -2.1510    2.1411 C   0  0  0  0  0
   -2.6790   -3.4610    2.4277 C   0  0  0  0  0
   -3.2849   -4.2077    3.4421 C   0  0  0  0  0
   -4.3257   -3.6630    4.1871 C   0  0  0  0  0
   -4.7654   -2.3695    3.9186 C   0  0  0  0  0
   -4.1581   -1.6216    2.9073 C   0  0  0  0  0
   -1.3709   -2.0726    0.4446 O   0  0  0  0  0
   -3.7962   -1.4310   -3.4461 H   0  0  0  0  0
   -2.2664   -2.2757   -3.6550 H   0  0  0  0  0
   -1.9872    0.1436   -3.0800 H   0  0  0  0  0
   -1.1940   -0.9182   -1.9379 H   0  0  0  0  0
   -2.4252    0.8878   -0.7582 H   0  0  0  0  0
   -3.8741    0.4973   -1.6343 H   0  0  0  0  0
   -4.2783   -0.3747    0.4447 H   0  0  0  0  0
   -4.4379   -2.9013   -0.0105 H   0  0  0  0  0
   -5.0971   -1.7987   -1.1901 H   0  0  0  0  0
   -2.4456   -3.2905   -1.4341 H   0  0  0  0  0
   -3.9250   -3.5874   -2.3260 H   0  0  0  0  0
   -2.5275    0.5967    2.1516 H   0  0  0  0  0
   -1.2602    0.5302    0.9282 H   0  0  0  0  0
    0.0846   -1.0182    2.2941 H   0  0  0  0  0
   -1.1532   -1.0152    3.5512 H   0  0  0  0  0
    1.6024   -0.4226    3.9324 H   0  0  0  0  0
    0.5310   -0.0315    5.2949 H   0  0  0  0  0
    1.4926    2.0998    5.5351 H   0  0  0  0  0
    2.8438    1.3805    4.6452 H   0  0  0  0  0
    0.9278    3.4131    3.7718 H   0  0  0  0  0
    2.3670    2.8556    2.9048 H   0  0  0  0  0
   -0.1449    2.3365    1.9740 H   0  0  0  0  0
    1.1838    1.1673    1.7598 H   0  0  0  0  0
   -1.8666   -3.9128    1.8628 H   0  0  0  0  0
   -2.9384   -5.2171    3.6486 H   0  0  0  0  0
   -4.7935   -4.2438    4.9770 H   0  0  0  0  0
   -5.5773   -1.9399    4.4992 H   0  0  0  0  0
   -4.5187   -0.6107    2.7304 H   0  0  0  0  0
   -0.7794   -1.4587   -0.0178 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  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  5  1  0  0  0
  4  7  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7 21  1  0  0  0
  7 15  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 48  1  0  0  0
 20 49  1  0  0  0
 21 50  1  0  0  0
M  END

>  <Chemical Name>
procyclidine

>  <PubChem CID>
4919

>  <Formula>
C19H29NO

>  <Molecular Weight>
287.447000

>  <IUPAC Name>
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O

>  <Isomeric SMILES>
C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2

>  <InChI Key>
WYDUSKDSKCASEF-UHFFFAOYSA-N

