B5W
Summary
| Name: | (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium |
| Formula: | C22 H23 Cl N |
| Formal charge: | 1 |
| Formula weight: | 336.878 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H22ClN/c23-22-16-19(13-14-21(22)20-11-5-2-6-12-20)17-24-15-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-14,16,24H,7,10,15,17H2/p+1 |
| InChIKey | InChI | 1.03 | IAHQDSBGJLCLQL-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(C[NH2+]CCCc2ccccc2)ccc1c3ccccc3 |
| SMILES | CACTVS | 3.385 | Clc1cc(C[NH2+]CCCc2ccccc2)ccc1c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCC[NH2+]Cc2ccc(c(c2)Cl)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCC[NH2+]Cc2ccc(c(c2)Cl)c3ccccc3 |
