AJK
Summary
| Name: | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium |
| Formula: | C19 H20 Cl N2 |
| Formal charge: | 1 |
| Formula weight: | 311.829 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H19ClN2/c20-19-13-15(14-21-12-10-17-7-4-11-22-17)8-9-18(19)16-5-2-1-3-6-16/h1-9,11,13,21-22H,10,12,14H2/p+1 |
| InChIKey | InChI | 1.03 | FMSBSBFLDMDDLK-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(C[NH2+]CCc2[nH]ccc2)ccc1c3ccccc3 |
| SMILES | CACTVS | 3.385 | Clc1cc(C[NH2+]CCc2[nH]ccc2)ccc1c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3ccc[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3ccc[nH]3 |
