8LZ
Summary
| Name: | (2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium |
| Formula: | C12 H16 N O2 |
| Formal charge: | 1 |
| Formula weight: | 206.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2/p+1/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | LSNPFVDQLTUQCE-JTQLQIEISA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C1C[NH2+][C@@H](C1)c2ccc3OCCOc3c2 |
| SMILES | CACTVS | 3.385 | C1C[NH2+][CH](C1)c2ccc3OCCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1[C@@H]3CCC[NH2+]3)OCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1C3CCC[NH2+]3)OCCO2 |
