25047718
  -OEChem-06181323082D

 77 76  0     0  0  0  0  0  0999 V2000
   11.9518    5.2073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2198    5.2073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4877    6.2073    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8538    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8538    6.5733    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6839    6.2073    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3179    6.5733    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3179    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4518    6.0733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4518    4.3413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7198    4.3413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7198    6.0733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4038    8.6904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6350    6.1588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0858    4.7073    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8161    7.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9971    9.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3984    8.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2228    6.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9440    5.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5849   10.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0026    9.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9862    9.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8051    7.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3260    5.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    6.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8179    5.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3538    5.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    3.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    3.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3854    8.3274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3021    7.5347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6137    9.5392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1462    9.1523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    3.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    3.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6535    6.5219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7368    7.3146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5337    5.0162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110    1.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6910    2.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2387    7.4202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    7.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0865   10.0486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9493   10.9146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0833   10.7774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0674   10.3251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860    9.7733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9378    9.0919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4877    9.0305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3506    9.8965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4846    9.7593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3715    7.9245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7363    5.0162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    6.6604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 17  1  0  0  0  0
  1 37  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  2 17  1  0  0  0  0
  2 38  1  0  0  0  0
  3 38  1  0  0  0  0
  4 38  1  0  0  0  0
  5 38  1  0  0  0  0
  6 37  1  0  0  0  0
  7 37  1  0  0  0  0
  8 37  1  0  0  0  0
 13 18  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 26  2  0  0  0  0
 15 35  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 36  1  0  0  0  0
 18 24  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 25  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 43  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 44  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 45  1  0  0  0  0
 23 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 33 72  1  0  0  0  0
 33 73  1  0  0  0  0
 33 74  1  0  0  0  0
 34 64  1  0  0  0  0
 34 65  1  0  0  0  0
 34 75  1  0  0  0  0
 35 36  2  0  0  0  0
 35 76  1  0  0  0  0
 36 77  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
> <PUBCHEM_COMPOUND_CID>
25047718

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
642

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
13

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7ucBgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAQAAACCjBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAAACAAQAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trifluoromethylsulfonyl)azanide;N-[2-[3-[2-(diisopropylamino)ethyl]imidazol-3-ium-1-yl]ethyl]-N-isopropyl-propan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;N-[2-[3-[2-[di(propan-2-yl)amino]ethyl]-1-imidazol-3-iumyl]ethyl]-N-propan-2-yl-2-propanamine

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;N-[2-[3-[2-[di(propan-2-yl)amino]ethyl]imidazol-3-ium-1-yl]ethyl]-N-propan-2-ylpropan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trifluoromethylsulfonyl)azanide;N-[2-[3-[2-[di(propan-2-yl)amino]ethyl]imidazol-3-ium-1-yl]ethyl]-N-propan-2-yl-propan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[3-[2-(diisopropylamino)ethyl]imidazol-1-ium-1-yl]ethyl-diisopropyl-amine;ditriflylazanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H39N4.C2F6NO4S2/c1-16(2)22(17(3)4)13-11-20-9-10-21(15-20)12-14-23(18(5)6)19(7)8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9-10,15-19H,11-14H2,1-8H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
MLHSRFMUUHJMLM-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
603.234766

> <PUBCHEM_MOLECULAR_FORMULA>
C21H39F6N5O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
603.685879

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N(CCN1C=C[N+](=C1)CCN(C(C)C)C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)N(CCN1C=C[N+](=C1)CCN(C(C)C)C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
603.234766

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <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>
15  26  8
15  35  8
16  26  8
16  36  8
35  36  8

$$$$