Common name
N-benzyl-N,N-dimethylethanaminium
IUPAC name
N-benzyl-N,N-dimethylethanaminium
SMILES
CC[N+](Cc1ccccc1)(C)C
Common name
N-benzyl-N,N-dimethylethanaminium
IUPAC name
N-benzyl-N,N-dimethylethanaminium
SMILES
CC[N+](Cc1ccccc1)(C)C
INCHI
InChI=1S/C11H18N/c1-4-12(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3/q+1
FORMULA
C11H18N+
Common name
N-benzyl-N,N-dimethylethanaminium
IUPAC name
N-benzyl-N,N-dimethylethanaminium
Molecular weight
164.267
clogP
-0.315
clogS
-3.658
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00971 | Ambenonium |
|
Anti-Arrhythmia Agents; Cholinesterase Inhibitors; Parasympathomimetics; Antimyasthenic Agents; Nervous System; Anticholinesterases; | Ambenonium is used to treat muscle weakness due to muscle disease (myasthenia gravis). |
| FDBD01005 | Bretylium |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Adrenergic Antagonists; | For use in the prophylaxis and therapy of ventricular fibrillation. Also used in the treatment of life-threatening ventricular arrhythmias, such as ventricular tachycardia, that have failed to respond to adequate doses of a first-line antiarrhythmic agent, such as lidocaine. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q9y_ligand.mol2 | 2q9y | 1 | -7.86 | [N+](Cc1ccccc1)(CC)(CC)CC | 15 |
| 2q9y_ligand_3_4.mol2 | 2q9y | 1 | -6.87 | c1(ccccc1)C[NH2+]CC | 10 |
| 2q9y_ligand_3_2.mol2 | 2q9y | 1 | -6.82 | c1(ccccc1)C[NH2+]CC | 10 |
| 2q9y_ligand_3_5.mol2 | 2q9y | 1 | -6.82 | c1(ccccc1)C[NH2+]CC | 10 |
| 4mw9_ligand_3_16.mol2 | 4mw9 | 1 | -6.64 | c1(ccccc1)C[NH2+]CC | 10 |
| 3gc4_ligand_3_6.mol2 | 3gc4 | 1 | -6.52 | C([NH2+]CC)c1ccccc1 | 10 |
| 2xye_ligand_4_1703.mol2 | 2xye | 1 | -6.25 | CC[NH2+]Cc1ccccc1 | 10 |
| 2xyf_ligand_4_1695.mol2 | 2xyf | 1 | -6.23 | [NH2+](CC)Cc1ccccc1 | 10 |
152 ,
16
