154494
  -OEChem-04252420592D

 29 30  0     1  0  0  0  0  0999 V2000
    3.0090    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    4.3227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    6.3227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8474    4.7294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0384    3.3282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    4.8227    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9338    4.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    5.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5165    3.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0165    3.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    4.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    5.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    4.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    6.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    4.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    5.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    5.1327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6784    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2798    6.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    3.6219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9314    4.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9763    5.3359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8249    2.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5829    2.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    3.6681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    6.9773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0090    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  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
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
154494

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
267

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAQAAAAA0QAAAAAAAAACRAAAAHgAQAAAACBThkAYxBoLABACgACJiJAQCCAEgIAAJiIA+iIgPZiKEORqXOCKm0BGaqAeAQAAAAAAAAAAAQAAAAAAAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1<I>H</I>-imidazole;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-imidazoline;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H12N2O2.ClH/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11;/h1-4,10H,5-7H2,(H,12,13);1H

> <PUBCHEM_IUPAC_INCHIKEY>
MYUBYOVCLMEAOH-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
240.0665554

> <PUBCHEM_MOLECULAR_FORMULA>
C11H13ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
240.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN=C(N1)C2COC3=CC=CC=C3O2.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN=C(N1)C2COC3=CC=CC=C3O2.Cl

> <PUBCHEM_CACTVS_TPSA>
42.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
240.0665554

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  13  8
12  14  8
13  15  8
14  16  8
15  16  8
6  7  3

$$$$