CDK     0306170842

 22 22  0  0  0  0  0  0  0  0999 V2000
   18.1537  -14.7496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.0662  -13.9012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0662  -14.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8087  -15.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5100  -14.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5100  -13.9012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8087  -13.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8087  -12.6637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0662  -12.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5100  -12.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3650  -12.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6637  -12.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9212  -12.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9212  -13.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6225  -13.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3650  -13.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2200  -13.9425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4775  -13.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2112  -12.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9125  -12.2512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6137  -12.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9125  -11.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 11 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 10 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:32219

> <NAME>
Thonzylamine hydrochloride

> <STAR>
2

> <SYNONYM>
Thonzylamine hydrochloride

> <FORMULA>
C16H23ClN4O; C16H22N4O.HCl

> <MASS>
322.834

> <MONOISOTOPIC_MASS>
322.15604

> <CHARGE>
0

> <SMILES>
Cl.N1=CC=CN=C1N(CC2=CC=C(C=C2)OC)CCN(C)C

> <INCHI>
InChI=1S/C16H22N4O.ClH/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14;/h4-10H,11-13H2,1-3H3;1H

> <INCHIKEY>
HRYJPHOTGFERGT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
63-56-9

> <KEGG_DRUG_ACCESSION>
D01801

$$$$