JMB
Summary
| Name: | (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium |
| Formula: | C16 H19 Cl N |
| Formal charge: | 1 |
| Formula weight: | 260.782 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18ClN/c1-2-10-18-12-13-8-9-15(16(17)11-13)14-6-4-3-5-7-14/h3-9,11,18H,2,10,12H2,1H3/p+1 |
| InChIKey | InChI | 1.03 | IROJKMDTRUNFOC-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CCC[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 |
