
 4-Diphenylacetoxy-1,1-dimethylpiperidinium

 50 52  0  0  0  0  0  0  0  0999 V2000
    1.2060    1.9905   -0.5208 C   0  0  0  0  0
    2.5946    1.3733   -0.3041 N   0  0  0  0  0
    3.3983    2.3336    0.5800 C   0  0  0  0  0
    4.7143    1.7222    1.0304 C   0  0  0  0  0
    4.5066    0.3862    1.7357 C   0  0  0  0  0
    3.7405   -0.5769    0.8331 C   0  0  0  0  0
    2.4076    0.0192    0.3938 C   0  0  0  0  0
    3.7149    0.5155    2.9297 O   0  0  0  0  0
    4.3354    1.0002    4.0445 C   0  0  0  0  0
    5.4149    1.5779    4.0014 O   0  0  0  0  0
    3.5713    0.6749    5.3365 C   0  0  0  0  0
    2.1555    0.1449    5.0807 C   0  0  0  0  0
    1.9110   -1.2106    4.8001 C   0  0  0  0  0
    0.6198   -1.6575    4.5117 C   0  0  0  0  0
   -0.4444   -0.7591    4.4971 C   0  0  0  0  0
   -0.2204    0.5874    4.7745 C   0  0  0  0  0
    1.0699    1.0385    5.0620 C   0  0  0  0  0
    4.3915   -0.1916    6.2942 C   0  0  0  0  0
    4.1225   -0.1419    7.6723 C   0  0  0  0  0
    4.8728   -0.9010    8.5731 C   0  0  0  0  0
    5.8975   -1.7239    8.1123 C   0  0  0  0  0
    6.1655   -1.8005    6.7492 C   0  0  0  0  0
    5.4139   -1.0476    5.8455 C   0  0  0  0  0
    3.2379    1.2055   -1.6797 C   0  0  0  0  0
    0.7273    2.1236    0.4540 H   0  0  0  0  0
    0.6196    1.3103   -1.1452 H   0  0  0  0  0
    1.3336    2.9572   -1.0175 H   0  0  0  0  0
    3.5692    3.2494    0.0027 H   0  0  0  0  0
    2.7730    2.5805    1.4463 H   0  0  0  0  0
    5.3858    1.5848    0.1753 H   0  0  0  0  0
    5.2090    2.4386    1.6942 H   0  0  0  0  0
    5.4727   -0.0642    1.9956 H   0  0  0  0  0
    3.5325   -1.5051    1.3801 H   0  0  0  0  0
    4.3500   -0.8503   -0.0345 H   0  0  0  0  0
    1.7511    0.1869    1.2563 H   0  0  0  0  0
    1.8917   -0.6458   -0.3080 H   0  0  0  0  0
    3.4599    1.6540    5.8275 H   0  0  0  0  0
    2.7216   -1.9366    4.8144 H   0  0  0  0  0
    0.4415   -2.7128    4.3172 H   0  0  0  0  0
   -1.4521   -1.1132    4.2921 H   0  0  0  0  0
   -1.0563    1.2833    4.7855 H   0  0  0  0  0
    1.2156    2.0935    5.2864 H   0  0  0  0  0
    3.3289    0.4951    8.0585 H   0  0  0  0  0
    4.6622   -0.8459    9.6384 H   0  0  0  0  0
    6.4889   -2.3045    8.8160 H   0  0  0  0  0
    6.9679   -2.4403    6.3898 H   0  0  0  0  0
    5.6604   -1.1326    4.7903 H   0  0  0  0  0
    4.2315    0.7680   -1.5688 H   0  0  0  0  0
    3.3124    2.1911   -2.1484 H   0  0  0  0  0
    2.6026    0.5455   -2.2779 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 18  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
M  CHG  1   2   1
M  END

>  <Chemical Name>
4-Diphenylacetoxy-1,1-dimethylpiperidinium

>  <PubChem CID>
1734

>  <Formula>
C21H26NO2+

>  <Molecular Weight>
324.444000

>  <IUPAC Name>
(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C

>  <Isomeric SMILES>
C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C

>  <InChI Std. ID>
InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1

>  <InChI Key>
HYJRTXSYDAFGJK-UHFFFAOYSA-N

