Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H25FN2O2/c1-26(2)15-16-8-10-18(11-9-16)25-21-13-12-20(22(24)23(21)28-4)17-6-5-7-19(14-17)27-3/h5-14,25H,15H2,1-4H3/p+1 |
InChIKey | InChI | 1.03 | VDMBGVBPYJVMMO-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2F |
SMILES | CACTVS | 3.385 | COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[NH+](C)Cc1ccc(cc1)Nc2ccc(c(c2OC)F)c3cccc(c3)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | C[NH+](C)Cc1ccc(cc1)Nc2ccc(c(c2OC)F)c3cccc(c3)OC |