
 Iodoclonidine-p

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.5422    0.2454    0.8568 C   0  0  0  0  0
    2.0893    0.5341   -0.5798 C   0  0  0  0  0
    0.6793    0.1347   -0.6084 N   0  0  0  0  0
    0.0673    0.1352   -1.4133 H   0  0  0  0  0
    0.3243   -0.3461    0.6227 C   0  0  0  0  0
    1.3463   -0.2800    1.5186 N   0  0  0  0  0
   -0.9275   -0.7619    0.8628 N   0  0  0  0  0
   -1.4257   -1.4147    2.0442 C   0  0  0  0  0
   -0.7375   -2.3784    2.8011 C   0  0  0  0  0
   -1.3275   -2.9518    3.9363 C   0  0  0  0  0
   -2.6228   -2.5946    4.3082 C   0  0  0  0  0
   -3.3464   -1.6836    3.5467 C   0  0  0  0  0
   -2.7515   -1.1120    2.4202 C   0  0  0  0  0
   -3.6785    0.0141    1.4869 Cl  0  0  0  0  0
   -3.4892   -3.4576    5.9859 I   0  0  0  0  0
    0.7909   -3.0270    2.3253 Cl  0  0  0  0  0
    2.8708    1.1527    1.3695 H   0  0  0  0  0
    3.3323   -0.5092    0.8903 H   0  0  0  0  0
    2.6474   -0.0580   -1.3106 H   0  0  0  0  0
    2.1672    1.5973   -0.8238 H   0  0  0  0  0
    1.2865   -0.6266    2.4660 H   0  0  0  0  0
   -1.6374   -0.4151    0.2220 H   0  0  0  0  0
   -0.7835   -3.7011    4.5111 H   0  0  0  0  0
   -4.3665   -1.4189    3.8189 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  5  2  0  0  0
  3  4  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 16  1  0  0  0
 10 11  2  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 13  2  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
M  CHG  1   3   1
M  END

>  <Chemical Name>
Iodoclonidine-p

>  <PubChem CID>
44577923

>  <Formula>
C9H9Cl2IN3+

>  <Molecular Weight>
356.996000

>  <IUPAC Name>
N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine

>  <XlogP>
2.200

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
0

>  <Canonical SMILES>
C1C[NH+]=C(N1)NC2=C(C=C(C=C2Cl)I)Cl

>  <Isomeric SMILES>
C1C[NH+]=C(N1)NC2=C(C=C(C=C2Cl)I)Cl

>  <InChI Std. ID>
InChI=1S/C9H8Cl2IN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)/p+1

>  <InChI Key>
HSRPTPAPMBHRRJ-UHFFFAOYSA-O

