38146
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1
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255
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2.5336
3.3336
0
6.9134
5.9977
10.3938
4.2656
6.8637
6.8637
5.1316
3.3996
4.7656
5.1316
6.8637
6.8637
5.9977
3.3996
5.7656
7.7297
5.9977
7.7297
5.9977
8.6237
5.1037
8.6237
5.1037
9.5297
9.5297
4.1977
4.1977
11.2618
3.9556
5.7422
5.3437
2.789
3.1876
4.8733
4.183
4.5211
4.9196
6.2437
7.4837
7.4743
7.0758
5.3871
5.7856
4.0102
3.6116
5.7656
6.3856
5.7656
8.6165
5.1109
8.6165
5.1109
10.0655
3.6619
10.9538
11.7999
11.5697
10.1546
0.6305
6.132
12.2641
6.1546
2.6788
8.1546
3.6546
0.6546
7.6546
8.6546
9.0206
6.6546
4.6546
2.6546
5.1546
9.6546
9.0206
2.1546
2.1546
1.1546
1.1546
2.6893
2.6893
0.62
0.62
2.1754
1.1338
2.1754
1.1338
2.1821
7.6177
7.547
8.2372
8.7623
8.072
9.6312
9.2327
6.7623
6.072
3.6546
3.6546
4.547
5.2372
5.2623
4.572
9.547
10.2372
8.4006
9.0206
9.6407
3.3092
3.3092
0
0
0.8217
2.4875
1.644
1.8742
2.7202
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
9
9
15
15
19
19
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29
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30
0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
473
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
11
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B30000700000000000000000000000000000000003C6080000000000000B1FC00001E02100000000C0FE19E6632C6F3C81400A003246244008288202127200898A03E6E980E26E2C5F3DBC7342864D011D8E807B0C0F00E04400100020200000880020004040000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-chloroethyl-[2-[2-[(6-chloro-2-methoxy-acridin-9-yl)ammonio]ethoxy]ethyl]-ethyl-ammonium;dichloride
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-chloroethyl-[2-[2-[(6-chloro-2-methoxy-9-acridinyl)ammonio]ethoxy]ethyl]-ethylammonium;dichloride
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-chloroethyl-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)azaniumyl]ethoxy]ethyl]-ethylazanium;dichloride
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-[2-[(6-chloranyl-2-methoxy-acridin-9-yl)azaniumyl]ethoxy]ethyl-(2-chloroethyl)-ethyl-azanium;dichloride
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-chloroethyl-[2-[2-[(6-chloro-2-methoxy-acridin-9-yl)ammonio]ethoxy]ethyl]-ethyl-ammonium;dichloride
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C22H27Cl2N3O2.2ClH/c1-3-27(10-8-23)11-13-29-12-9-25-22-18-6-4-16(24)14-21(18)26-20-7-5-17(28-2)15-19(20)22;;/h4-7,14-15H,3,8-13H2,1-2H3,(H,25,26);2*1H
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
SYIAZKMWOSUSLN-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
509.098438
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C22H29Cl4N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
509.29656
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CC[NH+](CCOCC[NH2+]C1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCl.[Cl-].[Cl-]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CC[NH+](CCOCC[NH2+]C1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCl.[Cl-].[Cl-]
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
52.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
507.101388
31
0
0
0
0
0
0
0
3
2