A1CWK
Summary
| Name: | 5-chloro-3-methyl-1-[(3R)-pyrrolidin-3-yl]-1H-indole |
| Formula: | C13 H15 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 234.725 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-chloro-3-methyl-1-[(3R)-pyrrolidin-3-yl]-1H-indole |
| OpenEye OEToolkits | 3.1.0.0 | 5-chloranyl-3-methyl-1-[(3~{R})-pyrrolidin-3-yl]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cc2c(cc1)n(cc2C)C1CCNC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H15ClN2/c1-9-8-16(11-4-5-15-7-11)13-3-2-10(14)6-12(9)13/h2-3,6,8,11,15H,4-5,7H2,1H3/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | RHUVUFHZPQAPAH-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn([C@@H]2CCNC2)c3ccc(Cl)cc13 |
| SMILES | CACTVS | 3.385 | Cc1cn([CH]2CCNC2)c3ccc(Cl)cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cn(c2c1cc(cc2)Cl)[C@@H]3CCNC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cn(c2c1cc(cc2)Cl)C3CCNC3 |
