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Ligand Download |
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| Ligand Name: N,N-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine | ||
| HET ID: QLW | PubChem: 72699172 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CN(c1cc[n+](cc1)Cc1ccc(cc1)CCc1ccccc1)C | ||
| Standard InChI: InChI=1S/C22H25N2/c1-23(2)22-14-16-24(17-15-22)18-21-12-10-20(11-13-21)9-8-19-6-4-3-5-7-19/h3-7,10-17H,8-9,18H2,1-2H3/q+1 | ||
| Molecular Formula: C22H25N2+ | Mol. Weight: 317.4473 | Heavy Atoms: 24 |
| Charge: 1 | Is Chiral: False | logP: 3.8736 |
| HBD: 0 | HBA: 1 | TPSA: 7.12 |
| #Bonds: 26 | #Rotatable Bonds: 6 | Shape Complexity: 0.22727273 |
| Stereocomplexity: 0.0 | ||