56642939
  -OEChem-05062415342D

 48 48  0     0  0  0  0  0  0999 V2000
    7.7331    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    4.0185    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5185    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7320    5.5185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.0185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    6.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    5.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    5.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    6.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    5.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550    4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    8.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    8.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    7.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    7.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    8.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571    8.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 26  2  0  0  0  0
  5 27  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 24  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 40  1  0  0  0  0
 18 22  2  0  0  0  0
 18 41  1  0  0  0  0
 19 24  1  0  0  0  0
 19 42  1  0  0  0  0
 20 25  2  0  0  0  0
 20 43  1  0  0  0  0
 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  2   2  -1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
56642939

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
366

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAEAAAADAjhmgY+iJMYEACoAzD3TAKCgCAxAiAI2CB4ZJgJIOLAkZGEIAhigADIyAcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-dimethyl-3-[(E)-[phenyl(4-pyridyl)methylene]amino]oxy-propan-1-amine;oxalate

> <PUBCHEM_IUPAC_CAS_NAME>
N,N-dimethyl-3-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]oxy-1-propanamine;oxalate

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>-dimethyl-3-[(<I>E</I>)-[phenyl(pyridin-4-yl)methylidene]amino]oxypropan-1-amine;oxalate

> <PUBCHEM_IUPAC_NAME>
N,N-dimethyl-3-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]oxypropan-1-amine;oxalate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-dimethyl-3-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]oxy-propan-1-amine;ethanedioate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dimethyl-[3-[(E)-[phenyl(4-pyridyl)methylene]amino]oxypropyl]amine;oxalate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H21N3O.C2H2O4/c1-20(2)13-6-14-21-19-17(15-7-4-3-5-8-15)16-9-11-18-12-10-16;3-1(4)2(5)6/h3-5,7-12H,6,13-14H2,1-2H3;(H,3,4)(H,5,6)/p-2/b19-17+;

> <PUBCHEM_IUPAC_INCHIKEY>
AEGWGJHONLNOBQ-ZJSKVYKZSA-L

> <PUBCHEM_EXACT_MASS>
371.14812078

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21N3O5-2

> <PUBCHEM_MOLECULAR_WEIGHT>
371.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CCCON=C(C1=CC=CC=C1)C2=CC=NC=C2.C(=O)(C(=O)[O-])[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)CCCO/N=C(\C1=CC=CC=C1)/C2=CC=NC=C2.C(=O)(C(=O)[O-])[O-]

> <PUBCHEM_CACTVS_TPSA>
118

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
371.14812078

> <PUBCHEM_TOTAL_CHARGE>
-2

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
15  17  8
15  18  8
16  19  8
16  20  8
17  21  8
18  22  8
19  24  8
20  25  8
21  23  8
22  23  8
8  24  8
8  25  8

$$$$