AVZ
Summary
| Name: | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium |
| Formula: | C18 H19 Cl N3 |
| Formal charge: | 1 |
| Formula weight: | 312.817 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H18ClN3/c19-18-10-14(11-20-9-8-16-12-21-13-22-16)6-7-17(18)15-4-2-1-3-5-15/h1-7,10,12-13,20H,8-9,11H2,(H,21,22)/p+1 |
| InChIKey | InChI | 1.03 | ZDZNMCURGFHPDK-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(C[NH2+]CCc2c[nH]cn2)ccc1c3ccccc3 |
| SMILES | CACTVS | 3.385 | Clc1cc(C[NH2+]CCc2c[nH]cn2)ccc1c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3c[nH]cn3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3c[nH]cn3 |
