A7K
Summary
| Name: | [2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium |
| Formula: | C13 H21 N2 O |
| Formal charge: | 1 |
| Formula weight: | 221.319 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2O/c14-9-12-3-1-2-4-13(12)15-7-5-11(10-16)6-8-15/h1-4,11,16H,5-10,14H2/p+1 |
| InChIKey | InChI | 1.03 | KXPYQPKQXZWYGM-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [NH3+]Cc1ccccc1N2CCC(CO)CC2 |
| SMILES | CACTVS | 3.385 | [NH3+]Cc1ccccc1N2CCC(CO)CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO |
