Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cc(ccc1NC(=O)OC2CC3C4C(C(C2)[N+]3(C)C)O4)F)c5cccs5 |
InChI | InChI | 1.03 | InChI=1S/C20H21FN2O3S/c1-23(2)15-9-12(10-16(23)19-18(15)26-19)25-20(24)22-14-6-5-11(21)8-13(14)17-4-3-7-27-17/h3-8,12,15-16,18-19H,9-10H2,1-2H3/p+1/t12-,15-,16+,18-,19+ |
InChIKey | InChI | 1.03 | YBYUWXNCRPKGOH-ADYDWEGLSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@@H]23)OC(=O)Nc4ccc(F)cc4c5sccc5 |
SMILES | CACTVS | 3.385 | C[N+]1(C)[CH]2C[CH](C[CH]1[CH]3O[CH]23)OC(=O)Nc4ccc(F)cc4c5sccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)Nc4ccc(cc4c5cccs5)F)C |
SMILES | OpenEye OEToolkits | 2.0.6 | C[N+]1(C2CC(CC1C3C2O3)OC(=O)Nc4ccc(cc4c5cccs5)F)C |