46191760
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
16
16
9
9
9
9
9
9
8
8
8
8
7
7
7
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
14
1
15
-1
1
1
1
1
2
2
2
2
3
4
5
6
7
8
13
13
13
14
14
14
16
16
16
16
17
17
17
18
18
18
19
19
19
20
20
20
21
21
21
22
22
22
23
23
23
24
24
24
25
25
25
26
26
26
27
27
27
28
28
28
29
29
29
30
30
30
31
31
32
32
32
33
34
34
35
35
35
36
37
37
37
9
10
15
38
11
12
15
39
38
39
39
39
38
38
31
33
34
33
36
37
17
18
40
41
19
42
43
20
44
45
21
46
47
22
48
49
23
50
51
24
52
53
25
54
55
26
56
57
27
58
59
29
60
61
28
62
63
30
64
65
31
66
67
32
68
69
70
71
35
72
73
74
36
75
76
77
78
79
80
81
82
2
2
1
1
2
2
1
1
1
1
1
1
1
1
1
1
1
2
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
2
1
1
1
1
1
1
1
1
1
5
255
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
15.3846
13.6526
17.1167
11.9205
12.2866
13.2866
15.7507
16.7507
14.8846
15.8846
13.1526
14.1526
8.3312
8.8312
14.5186
4.8671
4.8671
5.7331
4.001
5.7331
4.001
6.5991
3.135
6.5991
3.135
7.4651
2.269
2.269
7.4651
1.403
8.3312
1.403
9.1402
7.5222
0.5369
7.8312
9.419
16.2507
12.7866
4.655
4.2565
5.0791
5.4776
5.9451
6.3437
3.789
3.3905
5.521
5.1225
4.2131
4.6116
6.8112
7.2097
2.923
2.5244
6.3871
5.9885
3.3471
3.7456
7.6772
8.0757
2.0569
1.6584
2.481
2.8796
7.2531
6.8546
1.1909
0.7924
8.5432
8.9417
1.615
2.0135
9.7298
6.9325
0.2269
0
0.8469
7.4667
9.9205
9.7834
8.9174
8.1932
8.1932
9.1932
9.1932
7.8272
9.5592
9.5592
7.8272
9.0592
7.3272
7.3272
9.0592
14.0369
15.5758
7.6932
8.0369
7.0369
8.5369
6.5369
9.5369
5.5369
10.0369
5.0369
11.0369
4.0369
11.5369
3.5369
2.5369
12.5369
2.0369
13.0369
1.0369
14.6247
14.6247
0.5369
15.5758
16.3848
8.6932
8.6932
8.6195
7.9293
6.4543
7.1446
7.9543
8.6446
7.1195
6.4293
10.1195
9.4293
4.9543
5.6446
9.4543
10.1446
5.6195
4.9293
11.6195
10.9293
3.4543
4.1446
10.9543
11.6446
4.1195
3.4293
1.9543
2.6446
13.1195
12.4293
2.6196
1.9293
12.4543
13.1446
0.4543
1.1446
14.4331
14.4331
1.0739
0.2269
0
16.0774
16.0204
16.8864
16.7492
8
8
8
8
8
13
13
14
14
34
33
34
33
36
36
0
Compound
Canonicalized
5
2010.05.05
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
628
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
11
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
0
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
19
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371F07B39C0600000000000000000000000000160000000000000000000000000018000001D04004000000800C102142F90170C1002A0001027647000802D1112A00940001830008048020088001400000800028000211080800000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octadecyl-imidazol-1-ium
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octadecylimidazol-1-ium
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octadecylimidazol-1-ium
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octadecyl-imidazol-1-ium
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
ditriflylazanide;1-methyl-3-stearyl-imidazol-1-ium
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C22H43N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h20-22H,3-19H2,1-2H3;/q+1;-1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
DMEDSJKEUMLSKF-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
615.259918
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C24H43F6N3O4S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
615.736339
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
94.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
615.259918
39
0
0
0
0
0
0
0
2
1