
 tropicamide

 41 42  0  0  0  0  0  0  0  0999 V2000
    1.3394   -1.1547    0.5408 C   0  0  0  0  0
    1.9764   -0.2069   -0.4638 C   0  0  0  0  0
    2.6688    0.9051    0.1949 N   0  0  0  0  0
    1.8505    2.0545    0.5888 C   0  0  0  0  0
    1.8058    3.1262   -0.4730 C   0  0  0  0  0
    0.8254    3.1219   -1.4692 C   0  0  0  0  0
    0.8343    4.1342   -2.4174 C   0  0  0  0  0
    1.7382    5.1357   -2.4410 N   0  0  0  0  0
    2.6813    5.1202   -1.4753 C   0  0  0  0  0
    2.7575    4.1508   -0.4880 C   0  0  0  0  0
    4.0235    0.9253    0.5364 C   0  0  0  0  0
    4.5194    1.8997    1.1096 O   0  0  0  0  0
    4.9013   -0.2747    0.1412 C   0  0  0  0  0
    5.3251   -0.0682   -1.3227 C   0  0  0  0  0
    5.7135   -1.3037   -1.9266 O   0  0  0  0  0
    6.0358   -0.5182    1.1431 C   0  0  0  0  0
    5.7005   -0.9239    2.4496 C   0  0  0  0  0
    6.6878   -1.1627    3.4088 C   0  0  0  0  0
    8.0305   -1.0094    3.0792 C   0  0  0  0  0
    8.3841   -0.6107    1.7937 C   0  0  0  0  0
    7.3966   -0.3617    0.8352 C   0  0  0  0  0
    0.5712   -0.6465    1.1323 H   0  0  0  0  0
    2.0833   -1.5562    1.2358 H   0  0  0  0  0
    0.8653   -1.9934    0.0216 H   0  0  0  0  0
    1.2111    0.2004   -1.1322 H   0  0  0  0  0
    2.6663   -0.7682   -1.0967 H   0  0  0  0  0
    2.2339    2.4835    1.5228 H   0  0  0  0  0
    0.8344    1.7122    0.8197 H   0  0  0  0  0
    0.0631    2.3523   -1.5116 H   0  0  0  0  0
    0.0892    4.1674   -3.2071 H   0  0  0  0  0
    3.3992    5.9344   -1.5139 H   0  0  0  0  0
    3.5467    4.1966    0.2571 H   0  0  0  0  0
    4.3045   -1.1936    0.1934 H   0  0  0  0  0
    6.1362    0.6578   -1.4356 H   0  0  0  0  0
    4.4954    0.3164   -1.9251 H   0  0  0  0  0
    6.4697   -1.6545   -1.4232 H   0  0  0  0  0
    4.6575   -1.0430    2.7371 H   0  0  0  0  0
    6.4069   -1.4604    4.4157 H   0  0  0  0  0
    8.8002   -1.1907    3.8247 H   0  0  0  0  0
    9.4328   -0.4817    1.5367 H   0  0  0  0  0
    7.7282   -0.0332   -0.1453 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  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3 11  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 32  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
tropicamide

>  <PubChem CID>
5593

>  <Formula>
C17H20N2O2

>  <Molecular Weight>
284.359000

>  <IUPAC Name>
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2

>  <Isomeric SMILES>
CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3

>  <InChI Key>
BGDKAVGWHJFAGW-UHFFFAOYSA-N

