
 ent-Calindol Hydrochloride

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.4266   -0.4857    1.3846 C   0  0  0  0  0
    2.8372    0.0055   -0.0166 C   0  0  0  0  0
    2.9563   -1.1498   -1.0148 C   0  0  0  0  0
    4.2396   -1.4327   -1.5245 C   0  0  0  0  0
    4.4420   -2.4665   -2.4338 C   0  0  0  0  0
    3.3748   -3.2528   -2.8552 C   0  0  0  0  0
    2.0834   -3.0035   -2.3782 C   0  0  0  0  0
    1.0177   -3.8065   -2.8152 C   0  0  0  0  0
   -0.2767   -3.5680   -2.3579 C   0  0  0  0  0
   -0.5238   -2.5206   -1.4731 C   0  0  0  0  0
    0.5231   -1.7074   -1.0279 C   0  0  0  0  0
    1.8495   -1.9409   -1.4587 C   0  0  0  0  0
    1.9390    1.0654   -0.5187 N   0  0  0  0  0
    2.5253    1.7122   -1.7062 C   0  0  0  0  0
    1.7004    2.8718   -2.1783 C   0  0  0  0  0
    1.4188    4.0246   -1.4483 C   0  0  0  0  0
    0.6775    4.8215   -2.2940 C   0  0  0  0  0
    0.1314    6.0890   -2.1080 C   0  0  0  0  0
   -0.5795    6.6652   -3.1787 C   0  0  0  0  0
   -0.7249    5.9639   -4.3991 C   0  0  0  0  0
   -0.1598    4.6837   -4.5541 C   0  0  0  0  0
    0.5358    4.1438   -3.4755 C   0  0  0  0  0
    1.1537    2.9524   -3.4139 N   0  0  0  0  0
   -2.6200    2.1816   -4.1838 Cl  0  0  0  0  0
    2.4238    0.3662    2.0970 H   0  0  0  0  0
    3.1679   -1.2300    1.7478 H   0  0  0  0  0
    1.4306   -0.9591    1.4266 H   0  0  0  0  0
    3.8438    0.4570    0.1481 H   0  0  0  0  0
    5.0932   -0.8434   -1.2152 H   0  0  0  0  0
    5.4365   -2.6618   -2.8135 H   0  0  0  0  0
    3.5572   -4.0540   -3.5607 H   0  0  0  0  0
    1.1903   -4.6192   -3.5113 H   0  0  0  0  0
   -1.0928   -4.1936   -2.6965 H   0  0  0  0  0
   -1.5328   -2.3361   -1.1287 H   0  0  0  0  0
    0.2753   -0.9034   -0.3585 H   0  0  0  0  0
    1.8433    1.7923    0.2295 H   0  0  0  0  0
    3.5438    2.0965   -1.4760 H   0  0  0  0  0
    2.6041    0.9769   -2.5357 H   0  0  0  0  0
    1.7285    4.2547   -0.4374 H   0  0  0  0  0
    0.2520    6.6183   -1.1713 H   0  0  0  0  0
   -1.0148    7.6498   -3.0685 H   0  0  0  0  0
   -1.2710    6.4138   -5.2178 H   0  0  0  0  0
   -0.2619    4.1385   -5.4833 H   0  0  0  0  0
    1.2108    2.2384   -4.1743 H   0  0  0  0  0
   -1.6926    2.1757   -3.1683 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>
ent-Calindol Hydrochloride

>  <PubChem CID>
22019319

>  <Formula>
C21H21ClN2

>  <Molecular Weight>
336.863000

>  <IUPAC Name>
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>
CC(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

>  <InChI Key>
KFILKQPBQZIRST-UHFFFAOYSA-N

