51375263
  -OEChem-05102408072D

 40 42  0     1  0  0  0  0  0999 V2000
    4.5981   -0.7702    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.7702    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7298    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7298    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6962    3.2686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2298    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1962    0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3871    2.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0052    2.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    3.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.0802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    0.1472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    0.8374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.6221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.3124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.9602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7975    2.1260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5948    2.1260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3317    3.7702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0606    3.7702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.5802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.5802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.9198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3 24  1  0  0  0  0
  7  4  1  6  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  2  0  0  0  0
  5 14  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
M  CHG  1   5   1
M  END
> <PUBCHEM_COMPOUND_CID>
51375263

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
379

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIQAAAADBbhmiY9kJfNlACgAjBnZAACgC2xF6AJyYAYOoiKbiKBuxmXMAAs0AOYqCeQwKAOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[(2<I>S</I>)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1<I>H</I>-imidazol-3-ium

> <PUBCHEM_IUPAC_NAME>
3-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[(2S)-2-(4-chlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/p+1/t18-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LEZWWPYKPKIXLL-GOSISDBHSA-O

> <PUBCHEM_XLOGP3>
4.9

> <PUBCHEM_EXACT_MASS>
381.032821

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16Cl3N2O+

> <PUBCHEM_MOLECULAR_WEIGHT>
382.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1COC(C[N+]2=CNC=C2)C3=C(C=C(C=C3)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1CO[C@H](C[N+]2=CNC=C2)C3=C(C=C(C=C3)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
28.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
381.032821

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  17  8
12  18  8
14  16  8
15  20  8
15  21  8
17  19  8
18  19  8
20  22  8
21  23  8
22  24  8
23  24  8
7  4  6
5  13  8
5  14  8
6  13  8
6  16  8
9  11  8
9  12  8

$$$$