7GM
Summary
| Name: | (3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine |
| Formula: | C16 H23 N O S |
| Formal charge: | 0 |
| Formula weight: | 277.425 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H23NOS/c1-16(9-10-17(12-16)11-13-3-4-13)18-14-5-7-15(19-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | NBLYVOKOJMLIRY-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccc(O[C@]2(C)CCN(CC3CC3)C2)cc1 |
| SMILES | CACTVS | 3.385 | CSc1ccc(O[C]2(C)CCN(CC3CC3)C2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@]1(CCN(C1)CC2CC2)Oc3ccc(cc3)SC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1(CCN(C1)CC2CC2)Oc3ccc(cc3)SC |
