KJF
Summary
| Name: | [(2~{R})-1-oxidanylidene-4-phenyl-1-pyrrolidin-1-yl-butan-2-yl]azanium |
| Formula: | C14 H21 N2 O |
| Formal charge: | 1 |
| Formula weight: | 233.329 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | [(2~{R})-1-oxidanylidene-4-phenyl-1-pyrrolidin-1-yl-butan-2-yl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H20N2O/c15-13(14(17)16-10-4-5-11-16)9-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,15H2/p+1/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | WCADMWMQCHZJOA-CYBMUJFWSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [NH3+][C@H](CCc1ccccc1)C(=O)N2CCCC2 |
| SMILES | CACTVS | 3.385 | [NH3+][CH](CCc1ccccc1)C(=O)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CC[C@H](C(=O)N2CCCC2)[NH3+] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CCC(C(=O)N2CCCC2)[NH3+] |
