J3B
Summary
| Name: | (3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide |
| Formula: | C13 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 260.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | IZWNURHHAQZXMJ-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc(NC(=O)[C@@H]2CCCNC2=O)cc1 |
| SMILES | CACTVS | 3.385 | NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/c1ccc(cc1)NC(=O)[C@@H]2CCCNC2=O)\N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=N)N)NC(=O)C2CCCNC2=O |
