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0
3.9334
0.9945
1.1756
6.4927
3.1646
3.6646
2.3556
3.9736
3.7524
2.5768
2.6646
4.9247
5.6678
3.3457
6.6189
7.362
1.5823
8.3131
9.0562
10.0073
10.7504
11.7015
12.4446
13.3957
1.7892
2.0456
4.2664
4.1831
2.4059
3.1341
2.7294
2.0582
4.6336
5.4132
5.9589
5.1793
2.8317
2.915
6.3278
7.1075
7.6531
6.8735
8.022
8.8017
9.3473
8.5677
9.7162
10.4959
3.6813
11.0415
10.2619
11.4104
12.1901
12.7357
11.9561
13.2041
13.9853
13.5873
7.4927
1.689
0.5664
1.5845
3.307
8.0338
3.098
4.6368
3.6858
3.6858
2.289
2.289
4.6368
3.3768
4.0459
1.3754
3.7369
4.406
2.3935
4.097
4.7661
4.4571
5.1262
4.8172
5.4863
5.1773
3.9379
3.1488
1.9423
2.735
1.693
2.0172
5.2534
4.7657
2.8293
2.995
4.5933
4.4276
1.7221
0.9294
3.1894
3.3552
4.9534
4.7877
3.5496
3.7153
5.3135
5.1478
3.9097
4.0754
0
5.6736
5.5079
4.2698
4.4355
6.0338
5.868
4.5877
4.9857
5.767
8.0338
3
6
10
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
366
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
13
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371F07B3820000000000000000000000000000100000000000000000000000000000000001E00000800000800E18006030803000200280002B02C00000001000000010000B800000250020088201400000000009000011080800000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]ethanoate;hydroxide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;2-[1-(2-hydroxyethyl)-2-undecyl-2-imidazolin-1-ium-1-yl]acetate;hydroxide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C18H34N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17,14-15-21)16-18(22)23;;/h21H,2-16H2,1H3;;1H2/q;+1;/p-1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
GOJYXPWOUJYXJC-UHFFFAOYSA-M
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
366.249452
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C18H35N2NaO4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
366.471269
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-].[OH-].[Na+]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-].[OH-].[Na+]
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
73.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
366.249452
25
1
0
1
0
0
0
0
3
1