1. Primary Information
| English name: | (4S,5S)-2-(((4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino)-1,3-dimethyl-4,5-diphenyl-4,5-dihydro-1H-imidazol-3-ium chloride |
| CAS No.: | 1268449-00-8 |
| Molecular formula: | C34H36ClN5 |
| Molecular weight: | 550.1 g/mol |
| SMILES: | CN1C(C(N(C1=NC2=[N+](C(C(N2C)C3=CC=CC=C3)C4=CC=CC=C4)C)C)C5=CC=CC=C5)C6=CC=CC=C6.[Cl-] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 98% | 1760 | -20℃ | in stock | - |
| Kehua Intelligence | 250mg | 98% | 3520 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(4S,5S)-N-[(4S,5S)-1,3-dimethyl-4,5-diphenyl-4,5-dihydroimidazol-1-ium-2-yl]-1,3-dimethyl-4,5-diphenylimidazolidin-2-imine;chloride
4.2 InChI
InChI=1S/C34H36N5.ClH/c1-36-29(25-17-9-5-10-18-25)30(26-19-11-6-12-20-26)37(2)33(36)35-34-38(3)31(27-21-13-7-14-22-27)32(39(34)4)28-23-15-8-16-24-28;/h5-24,29-32H,1-4H3;1H/q+1;/p-1/t29-,30-,31-,32-;/m0./s1
4.3 InChIKey
CVYATYGJOLWHQJ-WYDLTDSDSA-M
4.4 Canonical SMILES
CN1C(C(N(C1=NC2=[N+](C(C(N2C)C3=CC=CC=C3)C4=CC=CC=C4)C)C)C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]
4.5 Isomeric SMILES
CN1[C@H]([C@@H](N(C1=NC2=[N+]([C@H]([C@@H](N2C)C3=CC=CC=C3)C4=CC=CC=C4)C)C)C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]
