| PDB CCD ID: | X8M |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C20 H30 N O3 |
| InChI: | InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19-,21-/m0/s1 |
| InChIKey: | OEXHQOGQTVQTAT-KKKDIUQISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3)C | | OpenEye OEToolkits 1.6.1 | CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C | | CACTVS 3.352 | CC(C)[N+]1(C)[CH]2CC[CH]1C[CH](C2)OC(=O)[CH](CO)c3ccccc3 | | CACTVS 3.352 | CC(C)[N@@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H](CO)c3ccccc3 | | ACDLabs 10.04 | O=C(OC2CC1[N+](C)(C(CC1)C2)C(C)C)C(c3ccccc3)CO |
|
| Name: | IPRATROPIUM;
(3-ENDO,8-ANTI)-3-{[(2R)-3-HYDROXY-2-PHENYLPROPANOYL]OXY}-8-METHYL-8-(1-METHYLETHYL)-8-AZONIABICYCLO[3.2.1]OCTANE |
| ZINC: | ZINC000253476026 |
umich.edu