QTH
Summary
| Name: | 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine |
| Formula: | C22 H23 N2 |
| Formal charge: | 1 |
| Formula weight: | 315.431 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridin-1-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H23N2/c1-2-6-20(7-3-1)21-10-8-19(9-11-21)18-23-16-12-22(13-17-23)24-14-4-5-15-24/h1-3,6-13,16-17H,4-5,14-15,18H2/q+1 |
| InChIKey | InChI | 1.03 | XOUNRIZMFAXTRS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCN(C1)c2cc[n+](Cc3ccc(cc3)c4ccccc4)cc2 |
| SMILES | CACTVS | 3.385 | C1CCN(C1)c2cc[n+](Cc3ccc(cc3)c4ccccc4)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC4 |
