
 AC1O3VDW

 33 33  0  0  0  0  0  0  0  0999 V2000
   -1.3266   -0.7476    0.4377 C   0  0  0  0  0
   -0.1051   -1.4045    0.3483 C   0  0  0  0  0
    1.0454   -0.6574    0.1095 C   0  0  0  0  0
    1.0274    0.6999   -0.0437 N   0  0  0  0  0
   -0.1917    1.3188    0.0302 C   0  0  0  0  0
   -1.3752    0.6316    0.2818 C   0  0  0  0  0
   -0.2316    2.8232   -0.1617 C   0  0  0  0  0
    0.9112    3.2155   -0.9955 N   0  0  0  0  0
    1.5308    2.4571   -1.2585 H   0  0  0  0  0
    1.1673    4.4524   -1.4272 C   0  0  0  0  0
    0.4147    5.4977   -1.0749 N   0  0  0  0  0
    2.2116    4.6631   -2.2338 N   0  0  0  0  0
    2.3912   -1.3495    0.0386 C   0  0  0  0  0
    3.2746   -0.7699    1.0595 N   0  0  0  0  0
    2.9010    0.0025    1.5977 H   0  0  0  0  0
    4.5129   -1.1971    1.3302 C   0  0  0  0  0
    5.0899   -2.1875    0.6444 N   0  0  0  0  0
    5.2086   -0.6156    2.3124 N   0  0  0  0  0
   -2.2398   -1.3105    0.6249 H   0  0  0  0  0
   -0.0705   -2.4841    0.4711 H   0  0  0  0  0
   -2.3310    1.1458    0.3437 H   0  0  0  0  0
   -0.1528    3.3131    0.8131 H   0  0  0  0  0
   -1.1512    3.1106   -0.6812 H   0  0  0  0  0
   -0.3865    5.4086   -0.4652 H   0  0  0  0  0
    0.6186    6.4323   -1.4108 H   0  0  0  0  0
    2.7927    3.9053   -2.5668 H   0  0  0  0  0
    2.4300    5.5892   -2.5830 H   0  0  0  0  0
    2.8277   -1.1785   -0.9502 H   0  0  0  0  0
    2.2883   -2.4219    0.2318 H   0  0  0  0  0
    4.6216   -2.6737   -0.1084 H   0  0  0  0  0
    6.0276   -2.5040    0.8631 H   0  0  0  0  0
    4.8164    0.1153    2.8921 H   0  0  0  0  0
    6.1476   -0.9186    2.5451 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  5  6  2  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
  7 23  1  0  0  0
  8 10  2  0  0  0
  8  9  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 16  2  0  0  0
 14 15  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 18 32  1  0  0  0
 18 33  1  0  0  0
M  CHG  2   8   1  14   1
M  END

>  <Chemical Name>
AC1O3VDW

>  <PubChem CID>
6338986

>  <Formula>
C9H17N7+2

>  <Molecular Weight>
223.284000

>  <IUPAC Name>
diaminomethylidene-[[6-(diaminomethylideneazaniumylmethyl)pyridin-2-yl]methyl]azanium

>  <XlogP>
-2.2

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1=CC(=NC(=C1)C[NH+]=C(N)N)C[NH+]=C(N)N

>  <Isomeric SMILES>
C1=CC(=NC(=C1)C[NH+]=C(N)N)C[NH+]=C(N)N

>  <InChI Std. ID>
InChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)/p+2

>  <InChI Key>
AJZJXPNIFWAHHT-UHFFFAOYSA-P

