
 Calindol Hydrochloride

 45 47  0  0  0  0  0  0  0  0999 V2000
    1.5036   -0.6672    0.4786 C   0  0  0  0  0
    2.7685   -0.1742   -0.2484 C   0  0  0  0  0
    2.9221   -0.8127   -1.6330 C   0  0  0  0  0
    4.0189   -1.6757   -1.8271 C   0  0  0  0  0
    4.2409   -2.2947   -3.0540 C   0  0  0  0  0
    3.3749   -2.0762   -4.1185 C   0  0  0  0  0
    2.2751   -1.2225   -3.9717 C   0  0  0  0  0
    1.4133   -1.0100   -5.0591 C   0  0  0  0  0
    0.3203   -0.1551   -4.9340 C   0  0  0  0  0
    0.0838    0.5045   -3.7300 C   0  0  0  0  0
    0.9322    0.3088   -2.6372 C   0  0  0  0  0
    2.0365   -0.5687   -2.7292 C   0  0  0  0  0
    2.8210    1.2994   -0.3209 N   0  0  0  0  0
    4.1338    1.7475   -0.8174 C   0  0  0  0  0
    4.2606    3.2396   -0.7791 C   0  0  0  0  0
    4.2228    4.0319    0.3657 C   0  0  0  0  0
    4.4208    5.3221   -0.0752 C   0  0  0  0  0
    4.4931    6.5237    0.6245 C   0  0  0  0  0
    4.7195    7.7029   -0.1115 C   0  0  0  0  0
    4.8657    7.6503   -1.5181 C   0  0  0  0  0
    4.7872    6.4184   -2.1947 C   0  0  0  0  0
    4.5637    5.2720   -1.4364 C   0  0  0  0  0
    4.4667    4.0065   -1.8755 N   0  0  0  0  0
   -0.7590    3.1433   -0.4593 Cl  0  0  0  0  0
    1.4683   -0.2402    1.5034 H   0  0  0  0  0
    1.5361   -1.7738    0.5714 H   0  0  0  0  0
    0.5584   -0.4006   -0.0257 H   0  0  0  0  0
    3.6038   -0.5144    0.4079 H   0  0  0  0  0
    4.7128   -1.8700   -1.0188 H   0  0  0  0  0
    5.0926   -2.9506   -3.1789 H   0  0  0  0  0
    3.5661   -2.5700   -5.0643 H   0  0  0  0  0
    1.5888   -1.5074   -6.0060 H   0  0  0  0  0
   -0.3417    0.0020   -5.7759 H   0  0  0  0  0
   -0.7625    1.1743   -3.6422 H   0  0  0  0  0
    0.7147    0.8546   -1.7364 H   0  0  0  0  0
    2.6915    1.6763    0.6478 H   0  0  0  0  0
    4.2710    1.4140   -1.8683 H   0  0  0  0  0
    4.9537    1.3189   -0.1992 H   0  0  0  0  0
    4.0831    3.7036    1.3875 H   0  0  0  0  0
    4.3830    6.5516    1.7010 H   0  0  0  0  0
    4.7839    8.6537    0.4013 H   0  0  0  0  0
    5.0409    8.5606   -2.0763 H   0  0  0  0  0
    4.9005    6.3644   -3.2698 H   0  0  0  0  0
    4.5460    3.6800   -2.8647 H   0  0  0  0  0
    0.0808    2.7340    0.5501 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 13  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 23  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 23 44  1  0  0  0
 24 45  1  0  0  0
M  END

>  <Chemical Name>
Calindol Hydrochloride

>  <PubChem CID>
23544608

>  <Formula>
C21H21ClN2

>  <Molecular Weight>
336.863000

>  <IUPAC Name>
(1R)-N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=CC=CC=C4N3.Cl

>  <Isomeric SMILES>
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC4=CC=CC=C4N3.Cl

>  <InChI Std. ID>
InChI=1S/C21H20N2.ClH/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18;/h2-13,15,22-23H,14H2,1H3;1H/t15-;/m1./s1

>  <InChI Key>
KFILKQPBQZIRST-XFULWGLBSA-N

