9NT
Summary
| Name: | ~{N}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide |
| Formula: | C14 H19 N2 O3 |
| Formal charge: | 1 |
| Formula weight: | 263.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H18N2O3/c17-14(9-16-6-2-1-3-7-16)15-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,1-3,6-7,9-10H2,(H,15,17)/p+1 |
| InChIKey | InChI | 1.03 | KUAQEDPYOBHGFT-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(C[NH+]1CCCCC1)Nc2ccc3OCOc3c2 |
| SMILES | CACTVS | 3.385 | O=C(C[NH+]1CCCCC1)Nc2ccc3OCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1NC(=O)C[NH+]3CCCCC3)OCO2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1NC(=O)C[NH+]3CCCCC3)OCO2 |
