Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H25FN6/c1-25-16(8-11-2-3-11)14(9-22-25)17-15(19)10-21-18(24-17)23-13-6-4-12(20)5-7-13/h9-13H,2-8,20H2,1H3,(H,21,23,24)/p+1/t12-,13- |
InChIKey | InChI | 1.03 | YSPIHUWHLMNFOV-JOCQHMNTSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(c1CC2CC2)c3nc(N[C@H]4CC[C@H]([NH3+])CC4)ncc3F |
SMILES | CACTVS | 3.385 | Cn1ncc(c1CC2CC2)c3nc(N[CH]4CC[CH]([NH3+])CC4)ncc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c(c(cn1)c2c(cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c(c(cn1)c2c(cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4 |