P84
Summary
| Name: | 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL |
| Formula: | C14 H20 I2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 486.13 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4-diiodo-6-{[methyl(1-methylpiperidin-4-yl)amino]methyl}phenol |
| OpenEye OEToolkits | 1.9.2 | 2,4-bis(iodanyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Ic1cc(c(O)c(I)c1)CN(C)C2CCN(C)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C14H20I2N2O/c1-17-5-3-12(4-6-17)18(2)9-10-7-11(15)8-13(16)14(10)19/h7-8,12,19H,3-6,9H2,1-2H3 |
| InChIKey | InChI | 1.03 | IAJFTEUXEMKNJL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)N(C)Cc2cc(I)cc(I)c2O |
| SMILES | CACTVS | 3.385 | CN1CCC(CC1)N(C)Cc2cc(I)cc(I)c2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I |
