TN9
Summary
| Name: | N-[[1-[2-[2-(2-hexoxyethoxy)ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl]-1-(1H-1,2,3-triazol-4-yl)-N-(2H-1,2,3-triazol-4-ylmethyl)methanamine |
| Formula: | C21 H36 N10 O3 |
| Formal charge: | 0 |
| Formula weight: | 476.576 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[1-[2-[2-(2-hexoxyethoxy)ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl]-1-(1~{H}-1,2,3-triazol-4-yl)-~{N}-(2~{H}-1,2,3-triazol-4-ylmethyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H36N10O3/c1-2-3-4-5-7-32-9-11-34-12-10-33-8-6-31-18-21(26-29-31)17-30(15-19-13-22-27-24-19)16-20-14-23-28-25-20/h13-14,18H,2-12,15-17H2,1H3,(H,22,24,27)(H,23,25,28) |
| InChIKey | InChI | 1.06 | TULQAAWRGBJEDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCOCCOCCOCCn1cc(CN(Cc2cn[nH]n2)Cc3c[nH]nn3)nn1 |
| SMILES | CACTVS | 3.385 | CCCCCCOCCOCCOCCn1cc(CN(Cc2cn[nH]n2)Cc3c[nH]nn3)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCOCCOCCOCCn1cc(nn1)CN(Cc2c[nH]nn2)Cc3cn[nH]n3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCOCCOCCOCCn1cc(nn1)CN(Cc2c[nH]nn2)Cc3cn[nH]n3 |
