Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCc1ccc[n+](c1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3 |
SMILES_CANONICAL | CACTVS | 3.370 | C[n+]1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc3ccccc3)c1 |
SMILES | CACTVS | 3.370 | C[n+]1cccc(CNC(=O)[CH]2CCCN2C(=O)[CH](N)Cc3ccccc3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[n+]1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N |
SMILES | OpenEye OEToolkits | 1.7.0 | C[n+]1cccc(c1)CNC(=O)C2CCCN2C(=O)C(Cc3ccccc3)N |
InChI | InChI | 1.03 | InChI=1S/C21H26N4O2/c1-24-11-5-9-17(15-24)14-23-20(26)19-10-6-12-25(19)21(27)18(22)13-16-7-3-2-4-8-16/h2-5,7-9,11,15,18-19H,6,10,12-14,22H2,1H3/p+1/t18-,19+/m1/s1 |
InChIKey | InChI | 1.03 | RQARGWNLRRMMGY-MOPGFXCFSA-O |