71305066
  -OEChem-05072406162D

 18 19  0     0  0  0  0  0  0999 V2000
    5.1350    0.3870    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.9177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    1.2811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -0.1130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
71305066

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
126

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjAAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAAQAAAACAjBEwQ98J/NmACgADZnZACCgC2xEqAJ2aA4dJiIaOLAmZGUIAhokALIyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1H-imidazo[1,2-a]pyridin-4-ium-6-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1H-imidazo[1,2-a]pyridin-4-ium-6-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1<I>H</I>-imidazo[1,2-a]pyridin-4-ium-6-amine

> <PUBCHEM_IUPAC_NAME>
1H-imidazo[1,2-a]pyridin-4-ium-6-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1H-imidazo[1,2-a]pyridin-4-ium-6-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1H-imidazo[1,2-a]pyridin-4-ium-6-ylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H7N3/c8-6-1-2-7-9-3-4-10(7)5-6/h1-5H,8H2/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
FBEUDMIHYYXAJG-UHFFFAOYSA-O

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
134.071822268

> <PUBCHEM_MOLECULAR_FORMULA>
C7H8N3+

> <PUBCHEM_MOLECULAR_WEIGHT>
134.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=[N+](C=CN2)C=C1N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=[N+](C=CN2)C=C1N

> <PUBCHEM_CACTVS_TPSA>
45.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
134.071822268

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  4  8
1  5  8
1  6  8
2  4  8
2  9  8
4  7  8
5  8  8
6  9  8
7  10  8
8  10  8

$$$$