29E
Summary
| Name: | (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine |
| Synonyms: | Duloxetine |
| Formula: | C18 H19 N O S |
| Formal charge: | 0 |
| Formula weight: | 297.415 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine |
| OpenEye OEToolkits | 1.7.6 | (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(c1cccc2c1cccc2)C(c3sccc3)CCNC |
| InChI | InChI | 1.03 | InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | ZEUITGRIYCTCEM-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCC[C@H](Oc1cccc2ccccc12)c3sccc3 |
| SMILES | CACTVS | 3.385 | CNCC[CH](Oc1cccc2ccccc12)c3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNCCC(c1cccs1)Oc2cccc3c2cccc3 |
