8JT
Summary
| Name: | 1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium |
| Formula: | C13 H18 N O2 |
| Formal charge: | 1 |
| Formula weight: | 220.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2/p+1 |
| InChIKey | InChI | 1.03 | LOYZMUZNAPZSOX-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCC(C1)[NH2+]Cc2ccc3OCOc3c2 |
| SMILES | CACTVS | 3.385 | C1CCC(C1)[NH2+]Cc2ccc3OCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1C[NH2+]C3CCCC3)OCO2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1C[NH2+]C3CCCC3)OCO2 |
