(3-azaniumylpropyl)(4-acetamidobutyl)azanium
  CDK    2/12/10,15:28

 13 12  0  0  0  0  0  0  0  0999 V2000
   -3.5724    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0 
  1 13  1  0  0  0  0 
  2  1  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  7  2  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
M  CHG  1   6   1
M  CHG  1  11   1
M  END
> <ID>
CHEBI:58535

> <NAME>
N(8)-acetylspermidinium(2+)

> <DEFINITION>
The dication of N8-acetylspermidine.

> <STAR>
3

> <SYNONYM>
N(8)-acetylspermidine

> <IUPAC_NAME>
N-(4-acetamidobutyl)propane-1,3-diaminium

> <FORMULA>
C9H23N3O

> <MASS>
189.29840

> <MONOISOTOPIC_MASS>
189.18302

> <CHARGE>
2

> <SMILES>
CC(=O)NCCCC[NH2+]CCC[NH3+]

> <INCHI>
InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)/p+2

> <INCHIKEY>
FONIWJIDLJEJTL-UHFFFAOYSA-P

> <METACYC_ACCESSION>
CPD-3462

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