17170
  -OEChem-05112415452D

 43 43  0     0  0  0  0  0  0999 V2000
    8.2700    4.0785    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    5.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4871    8.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2471    8.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    6.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431    7.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2700    4.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 43  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  2  0  0  0  0
  4 42  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  6 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 16  1  0  0  0  0
  9 15  2  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
17170

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
278

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHAAQAAAADAiBGAQywINAAACgAyRiQACCAAAhAgAIiAAoZJgIIKLAkZGEIAhggABIyAcQgMAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethyl-aniline;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
4-[[4-(dimethylamino)phenyl]-iminomethyl]-N,N-dimethylaniline;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[4-(dimethylamino)benzenecarboximidoyl]-<I>N</I>,<I>N</I>-dimethylaniline;hydrochloride

> <PUBCHEM_IUPAC_NAME>
4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethyl-aniline;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-[4-(dimethylamino)benzimidoyl]phenyl]-dimethyl-amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
KSCQDDRPFHTIRL-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
303.1502254

> <PUBCHEM_MOLECULAR_FORMULA>
C17H22ClN3

> <PUBCHEM_MOLECULAR_WEIGHT>
303.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl

> <PUBCHEM_CACTVS_TPSA>
30.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.1502254

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
10  14  8
11  15  8
12  16  8
13  17  8
5  10  8
5  12  8
6  11  8
6  13  8
8  14  8
8  16  8
9  15  8
9  17  8

$$$$