
 AC1MGH8D

 51 52  0  0  0  0  0  0  0  0999 V2000
    1.0000    0.0000    0.0000 C   0  0  0  0  0
    2.7439   -0.9152   -0.3707 C   0  0  0  0  0
    2.7045   -2.2937   -1.0614 C   0  0  0  0  0
    2.4775   -2.1521   -2.5618 C   0  0  0  0  0
    3.4896   -1.1947   -3.1919 C   0  0  0  0  0
    3.4913    0.1190   -2.5213 N   0  0  0  0  0
    3.8017   -0.0360   -1.0808 C   0  0  0  0  0
    4.5032    1.0318   -3.1204 C   0  0  0  0  0
    4.3626    1.3562   -4.6214 C   0  0  0  0  0
    3.1063    1.9928   -4.8598 O   0  0  0  0  0
    3.0375    2.8043   -5.9647 C   0  0  0  0  0
    2.1506    3.8978   -5.9221 C   0  0  0  0  0
    2.0182    4.7875   -7.0275 C   0  0  0  0  0
    1.1643    5.9195   -7.0593 C   0  0  0  0  0
    1.0849    6.7554   -8.1759 C   0  0  0  0  0
    1.8560    6.4860   -9.2969 C   0  0  0  0  0
    2.7046    5.3810   -9.3006 C   0  0  0  0  0
    2.7953    4.5312   -8.1847 C   0  0  0  0  0
    3.6538    3.4236   -8.2197 C   0  0  0  0  0
    3.7699    2.5644   -7.1263 C   0  0  0  0  0
    1.1368    4.1765   -4.3171 Br  0  0  0  0  0
    1.0000    0.0000    0.0000 C   0  0  0  0  0
    0.3604   -1.3755   -0.5919 O   0  0  0  0  0
   -0.3179    1.0890    1.0056 C   0  0  0  0  0
   -0.1799    2.2108    1.4500 O   0  0  0  0  0
   -1.4871    0.4333    1.1529 O   0  0  0  0  0
    1.4717    1.2594   -1.2318 O   0  0  0  0  0
    1.7328    1.1567    0.7309 H   0  0  0  0  0
    0.6202   -0.8143    1.2666 H   0  0  0  0  0
   -0.1340    0.3363   -1.0165 H   0  0  0  0  0
    3.1050   -1.0793    0.6604 H   0  0  0  0  0
    1.9765   -2.9715   -0.6050 H   0  0  0  0  0
    3.6794   -2.7776   -0.9082 H   0  0  0  0  0
    2.5625   -3.1359   -3.0373 H   0  0  0  0  0
    1.4631   -1.7914   -2.7650 H   0  0  0  0  0
    4.4900   -1.6458   -3.1630 H   0  0  0  0  0
    3.2107   -1.0815   -4.2448 H   0  0  0  0  0
    4.7934   -0.4913   -0.9521 H   0  0  0  0  0
    3.8448    0.9419   -0.5851 H   0  0  0  0  0
    5.5116    0.6304   -2.9541 H   0  0  0  0  0
    4.4393    1.9880   -2.5845 H   0  0  0  0  0
    4.4424    0.4498   -5.2307 H   0  0  0  0  0
    5.1915    2.0263   -4.8865 H   0  0  0  0  0
    0.5409    6.1707   -6.2042 H   0  0  0  0  0
    0.4186    7.6143   -8.1634 H   0  0  0  0  0
    1.7977    7.1327  -10.1682 H   0  0  0  0  0
    3.2996    5.1870  -10.1910 H   0  0  0  0  0
    4.2427    3.2147   -9.1115 H   0  0  0  0  0
    4.4296    1.7073   -7.2148 H   0  0  0  0  0
   -2.0675    1.0786    1.6043 H   0  0  0  0  0
    1.8110    0.7498   -2.0191 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  7  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 11 20  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 21  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
 15 45  1  0  0  0
 16 17  1  0  0  0
 16 46  1  0  0  0
 17 18  2  0  0  0
 17 47  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 48  1  0  0  0
 20 49  1  0  0  0
 22 27  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 50  1  0  0  0
 27 51  1  0  0  0
M  END

>  <Chemical Name>
AC1MGH8D

>  <PubChem CID>
2935862

>  <Formula>
C20H24BrNO5

>  <Molecular Weight>
438.318000

>  <IUPAC Name>
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine;oxalic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CCCN(C1)CCOC2=C(C3=CC=CC=C3C=C2)Br.C(=O)(C(=O)O)O

>  <Isomeric SMILES>
CC1CCCN(C1)CCOC2=C(C3=CC=CC=C3C=C2)Br.C(=O)(C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C18H22BrNO.C2H2O4/c1-14-5-4-10-20(13-14)11-12-21-17-9-8-15-6-2-3-7-16(15)18(17)19;3-1(4)2(5)6/h2-3,6-9,14H,4-5,10-13H2,1H3;(H,3,4)(H,5,6)

>  <InChI Key>
AAVYQEIAQDJKNU-UHFFFAOYSA-N

