QTK
Summary
| Name: | 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium |
| Formula: | C16 H19 N2 |
| Formal charge: | 1 |
| Formula weight: | 239.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-3,6-9,12-13H,4-5,10-11,14H2/q+1 |
| InChIKey | InChI | 1.03 | HEIRUXZPJJZCAO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCN(C1)c2cc[n+](Cc3ccccc3)cc2 |
| SMILES | CACTVS | 3.385 | C1CCN(C1)c2cc[n+](Cc3ccccc3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[n+]2ccc(cc2)N3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[n+]2ccc(cc2)N3CCCC3 |
