21225
 OpenBabel05082101102D

 35 36  0  0  0  0  0  0  0  0999 V2000
    3.0760    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2100    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9421    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797    4.3174    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1707    5.7186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0843    5.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0016    4.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    5.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5016    4.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    6.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8163    7.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8163    8.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    7.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7103    6.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    8.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    8.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7103    8.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6163    7.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6163    8.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1086    3.7109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5963    4.2526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352    3.8573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1932    3.5198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1623    5.2293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5609    5.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0867    5.4362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473    7.0019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031    6.1573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    9.4319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473    8.6219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031    9.4665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1521    6.9790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1521    8.6448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 18  2  0  0  0  0
 14 17  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  CHG  4   1  -1   2  -1   4   1   6   1
M  END
>  <PUBCHEM_COMPOUND_CID>
21225

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
291

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAQAAAAAwYAAAAAAAAADBUAAAHAAUAAAADADBGAQxAMLAQAChAiJiJQACAAEgAAAJiIA4AIgIYCKAmRGUIAAgkACIiAcQgMAOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(1-naphthylmethyl)-4,5-dihydro-1H-imidazol-1-ium;nitrate

>  <PUBCHEM_IUPAC_CAS_NAME>
2-(1-naphthalenylmethyl)-4,5-dihydro-1H-imidazol-1-ium;nitrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1<I>H</I>-imidazol-1-ium;nitrate

>  <PUBCHEM_IUPAC_NAME>
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazol-1-ium;nitrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazol-1-ium;nitrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(1-naphthylmethyl)-2-imidazolin-1-ium;nitrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14N2.NO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);/q;-1/p+1

>  <PUBCHEM_IUPAC_INCHIKEY>
HZVHPACMMGWUIV-UHFFFAOYSA-O

>  <PUBCHEM_EXACT_MASS>
273.111341

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H15N3O3

>  <PUBCHEM_MOLECULAR_WEIGHT>
273.29

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN=C([NH2+]1)CC2=CC=CC3=CC=CC=C32.[N+](=O)([O-])[O-]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN=C([NH2+]1)CC2=CC=CC3=CC=CC=C32.[N+](=O)([O-])[O-]

>  <PUBCHEM_CACTVS_TPSA>
91.9

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.111341

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
20

>  <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>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  14  8
12  13  8
12  15  8
13  16  8
13  18  8
14  17  8
15  19  8
16  17  8
18  20  8
19  20  8

$$$$
