Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(C3c1ccccc1CCc2ccccc23)C5CC4[N+](C)(C(CC4)C5)C |
SMILES_CANONICAL | CACTVS | 3.352 | C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)O[C@@H]3c4ccccc4CCc5ccccc35 |
SMILES | CACTVS | 3.352 | C[N+]1(C)[CH]2CC[CH]1CC(C2)O[CH]3c4ccccc4CCc5ccccc35 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[N+]1([C@H]2CC[C@@H]1CC(C2)OC3c4ccccc4CCc5c3cccc5)C |
SMILES | OpenEye OEToolkits | 1.6.1 | C[N+]1(C2CCC1CC(C2)OC3c4ccccc4CCc5c3cccc5)C |
InChI | InChI | 1.03 | InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21- |
InChIKey | InChI | 1.03 | BADPXOSJBUEVTR-WKCHPHFGSA-N |