23Q
Summary
| Name: | (2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine |
| Formula: | C22 H27 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 370.46 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S,3S,5R,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c4cccc(CF)c4 |
| SMILES | CACTVS | 3.352 | COc1cc2CCN3C[CH]([CH](N)C[CH]3c2cc1OC)c4cccc(CF)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)c4cccc(c4)CF)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc2c(cc1OC)C3CC(C(CN3CC2)c4cccc(c4)CF)N |
| InChI | InChI | 1.03 | InChI=1S/C22H27FN2O2/c1-26-21-9-16-6-7-25-13-18(15-5-3-4-14(8-15)12-23)19(24)11-20(25)17(16)10-22(21)27-2/h3-5,8-10,18-20H,6-7,11-13,24H2,1-2H3/t18-,19+,20+/m1/s1 |
| InChIKey | InChI | 1.03 | OQMKJZHTWPQABR-AABGKKOBSA-N |
